N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C35H45N5O4 — CID 3867005

IUPACN-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)C(c1ccncc1)N(C(=O)c1ccc(CN2CCCCC2)o1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C35H45N5O4/c41-34(37-24-30-10-7-23-43-30)33(28-13-17-36-18-14-28)40(29-15-21-39(22-16-29)25-27-8-3-1-4-9-27)35(42)32-12-11-31(44-32)26-38-19-5-2-6-20-38/h1,3-4,8-9,11-14,17-18,29-30,33H,2,5-7,10,15-16,19-26H2,(H,37,41)
InChIKeyZEQCZJBBDOPLOX-UHFFFAOYSA-N
MW599.78 g/mol
LogP4.80
Rot. Bonds11

About N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 3867005) has the molecular formula C35H45N5O4 and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID3867005
Molecular FormulaC35H45N5O4
Molecular Weight599.78 g/mol
Exact Mass599.35
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)C(c1ccncc1)N(C(=O)c1ccc(CN2CCCCC2)o1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C35H45N5O4/c41-34(37-24-30-10-7-23-43-30)33(28-13-17-36-18-14-28)40(29-15-21-39(22-16-29)25-27-8-3-1-4-9-27)35(42)32-12-11-31(44-32)26-38-19-5-2-6-20-38/h1,3-4,8-9,11-14,17-18,29-30,33H,2,5-7,10,15-16,19-26H2,(H,37,41)
InChIKeyZEQCZJBBDOPLOX-UHFFFAOYSA-N
XLogP4.80
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142427
(2S)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 98088871
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3174552
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142451
N-benzyl-N-[(1S)-2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 98097292
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131933924
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclohexylamino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 25312145
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 3867005) is N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is O=C(NCC1CCCO1)C(c1ccncc1)N(C(=O)c1ccc(CN2CCCCC2)o1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is ZEQCZJBBDOPLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O4/c41-34(37-24-30-10-7-23-43-30)33(28-13-17-36-18-14-28)40(29-15-21-39(22-16-29)25-27-8-3-1-4-9-27)35(42)32-12-11-31(44-32)26-38-19-5-2-6-20-38/h1,3-4,8-9,11-14,17-18,29-30,33H,2,5-7,10,15-16,19-26H2,(H,37,41).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 599.78 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3867005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).