N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide

C22H29N3O3 — CID 55710554

IUPACN-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C22H29N3O3/c1-17-9-12-25(13-10-17)16-19-6-3-2-5-18(19)15-24-21(26)8-11-23-22(27)20-7-4-14-28-20/h2-7,14,17H,8-13,15-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyQTWQDTHBQNSARD-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.95
Rot. Bonds8

About N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 55710554) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID55710554
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C22H29N3O3/c1-17-9-12-25(13-10-17)16-19-6-3-2-5-18(19)15-24-21(26)8-11-23-22(27)20-7-4-14-28-20/h2-7,14,17H,8-13,15-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyQTWQDTHBQNSARD-UHFFFAOYSA-N
XLogP2.95
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
4-(furan-2-carbonyl)-N'-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166188
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
4-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845148
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 46477048
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide
CID 17464973

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide (CID 55710554) is N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide is CC1CCN(Cc2ccccc2CNC(=O)CCNC(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is QTWQDTHBQNSARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-9-12-25(13-10-17)16-19-6-3-2-5-18(19)15-24-21(26)8-11-23-22(27)20-7-4-14-28-20/h2-7,14,17H,8-13,15-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 55710554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).