N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide

C29H40N4O3 — CID 69334741

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)N(CC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C29H40N4O3/c34-29(20-24-10-16-35-17-11-24)33(27-6-7-28(30-21-27)32-14-18-36-19-15-32)23-26-8-12-31(13-9-26)22-25-4-2-1-3-5-25/h1-7,21,24,26H,8-20,22-23H2
InChIKeyZUXQILFCCWXKRH-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.98
Rot. Bonds8

About N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide

N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide (PubChem CID 69334741) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide
PubChem CID69334741
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)N(CC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C29H40N4O3/c34-29(20-24-10-16-35-17-11-24)33(27-6-7-28(30-21-27)32-14-18-36-19-15-32)23-26-8-12-31(13-9-26)22-25-4-2-1-3-5-25/h1-7,21,24,26H,8-20,22-23H2
InChIKeyZUXQILFCCWXKRH-UHFFFAOYSA-N
XLogP3.98
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]methyl]-N-(4-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 11635312
2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide
CID 87677657
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(oxan-4-yl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 11671453
[[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]methyl-(6-morpholin-4-yl-3-pyridinyl)amino]-(oxan-4-ylamino)methanol
CID 129267596
1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine
CID 166097327
N-benzyl-6-morpholin-4-yl-N-phenylpyridine-3-carboxamide
CID 109153444
1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
4-[5-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine
CID 24784906
benzyl N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
CID 70334634
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide
CID 11691757

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide (CID 69334741) is N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)N(CC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide?
The InChIKey is ZUXQILFCCWXKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c34-29(20-24-10-16-35-17-11-24)33(27-6-7-28(30-21-27)32-14-18-36-19-15-32)23-26-8-12-31(13-9-26)22-25-4-2-1-3-5-25/h1-7,21,24,26H,8-20,22-23H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide?
N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide has a molecular weight of 492.66 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 69334741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).