1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid

C20H26N4O3 — CID 122013635

IUPAC1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCc1nc2cc(CNC(=O)N3CCCC(C(=O)O)C3)ccc2n1C1CC1
InChIInChI=1S/C20H26N4O3/c1-2-18-22-16-10-13(5-8-17(16)24(18)15-6-7-15)11-21-20(27)23-9-3-4-14(12-23)19(25)26/h5,8,10,14-15H,2-4,6-7,9,11-12H2,1H3,(H,21,27)(H,25,26)
InChIKeyONPPKZRBTTWHLF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.94
Rot. Bonds5

About 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122013635) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122013635
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCc1nc2cc(CNC(=O)N3CCCC(C(=O)O)C3)ccc2n1C1CC1
InChIInChI=1S/C20H26N4O3/c1-2-18-22-16-10-13(5-8-17(16)24(18)15-6-7-15)11-21-20(27)23-9-3-4-14(12-23)19(25)26/h5,8,10,14-15H,2-4,6-7,9,11-12H2,1H3,(H,21,27)(H,25,26)
InChIKeyONPPKZRBTTWHLF-UHFFFAOYSA-N
XLogP2.94
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide
CID 146094947
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62269126
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide
CID 154773455
1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122010900
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
1-[[4-(1,1-difluoroethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015342
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
1-[(7-chloro-1-methylbenzimidazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122010524
1-[(4-prop-2-enoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122013875
(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81125435

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 122013635) is 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid is CCc1nc2cc(CNC(=O)N3CCCC(C(=O)O)C3)ccc2n1C1CC1.
What is the InChIKey of 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ONPPKZRBTTWHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-18-22-16-10-13(5-8-17(16)24(18)15-6-7-15)11-21-20(27)23-9-3-4-14(12-23)19(25)26/h5,8,10,14-15H,2-4,6-7,9,11-12H2,1H3,(H,21,27)(H,25,26).
What are the key properties of 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122013635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).