N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide

C17H23N5O2 — CID 74240532

IUPACN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCCN3CCCC(C(N)=O)C3)cc2[nH]1
InChIInChI=1S/C17H23N5O2/c1-11-20-14-5-4-12(9-15(14)21-11)17(24)19-6-8-22-7-2-3-13(10-22)16(18)23/h4-5,9,13H,2-3,6-8,10H2,1H3,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyCSIYFHKQPKNGQP-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 74240532) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID74240532
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCCN3CCCC(C(N)=O)C3)cc2[nH]1
InChIInChI=1S/C17H23N5O2/c1-11-20-14-5-4-12(9-15(14)21-11)17(24)19-6-8-22-7-2-3-13(10-22)16(18)23/h4-5,9,13H,2-3,6-8,10H2,1H3,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyCSIYFHKQPKNGQP-UHFFFAOYSA-N
XLogP0.80
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052621
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 74240532) is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCCN3CCCC(C(N)=O)C3)cc2[nH]1.
What is the InChIKey of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is CSIYFHKQPKNGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-20-14-5-4-12(9-15(14)21-11)17(24)19-6-8-22-7-2-3-13(10-22)16(18)23/h4-5,9,13H,2-3,6-8,10H2,1H3,(H2,18,23)(H,19,24)(H,20,21).
What are the key properties of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 74240532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).