(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide

C18H26N6O3 — CID 97438336

IUPAC(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)NCCN3CCC[C@H](C(N)=O)C3)ccc21
InChIInChI=1S/C18H26N6O3/c1-22-14-6-5-13(10-15(14)23(2)18(22)27)21-17(26)20-7-9-24-8-3-4-12(11-24)16(19)25/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,19,25)(H2,20,21,26)/t12-/m0/s1
InChIKeyXUFFFYUCHQNTNA-LBPRGKRZSA-N
MW374.45 g/mol
LogP0.20
Rot. Bonds5

About (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide

(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide (PubChem CID 97438336) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
PubChem CID97438336
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)NCCN3CCC[C@H](C(N)=O)C3)ccc21
InChIInChI=1S/C18H26N6O3/c1-22-14-6-5-13(10-15(14)23(2)18(22)27)21-17(26)20-7-9-24-8-3-4-12(11-24)16(19)25/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,19,25)(H2,20,21,26)/t12-/m0/s1
InChIKeyXUFFFYUCHQNTNA-LBPRGKRZSA-N
XLogP0.20
TPSA114.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125438522
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125166749
(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125173766
1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 118767012
1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
1-[2-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 99845473
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide (CID 97438336) is (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide is Cn1c(=O)n(C)c2cc(NC(=O)NCCN3CCC[C@H](C(N)=O)C3)ccc21.
What is the InChIKey of (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide?
The InChIKey is XUFFFYUCHQNTNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-22-14-6-5-13(10-15(14)23(2)18(22)27)21-17(26)20-7-9-24-8-3-4-12(11-24)16(19)25/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,19,25)(H2,20,21,26)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide?
(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 97438336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).