N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C20H22N4O3 — CID 170513093

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-12-9-16(13-5-4-8-21-10-13)27-20(26)18(12)19(25)22-11-17-23-14-6-2-3-7-15(14)24-17/h2-3,6-7,9,13,21H,4-5,8,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyGBWWTWWLEUAGBJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.22
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170513093) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170513093
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-12-9-16(13-5-4-8-21-10-13)27-20(26)18(12)19(25)22-11-17-23-14-6-2-3-7-15(14)24-17/h2-3,6-7,9,13,21H,4-5,8,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyGBWWTWWLEUAGBJ-UHFFFAOYSA-N
XLogP2.22
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53325491
4-[(1-acetylpiperidin-4-yl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 136048710
3-(1H-benzimidazol-2-yl)-4-(oxan-4-ylamino)-1H-pyridin-2-one
CID 137174991
1-(1H-benzimidazol-2-yl)-4-oxo-quinolizine-3-carboxylic acid
CID 49769349
3-(1H-benzimidazol-2-yl)-6-[(E)-2-(2-fluoro-4-methylcyclobutyl)-2-hydroxyethenyl]-5-methylpyran-2-one
CID 136624734
1-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 141463119
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-4-fluoro-3-methoxycyclohexa-1,3-diene-1-carboxamide
CID 163652592
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129000706
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methyloxane-3-carboxamide
CID 129000721
(2R,3R)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129399601
(2S,3R)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129399602
(2R,3S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129399603

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170513093) is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is GBWWTWWLEUAGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-9-16(13-5-4-8-21-10-13)27-20(26)18(12)19(25)22-11-17-23-14-6-2-3-7-15(14)24-17/h2-3,6-7,9,13,21H,4-5,8,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170513093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).