1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid

C18H29N3O4 — CID 122013071

IUPAC1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1
InChIInChI=1S/C18H29N3O4/c22-16(20-8-2-1-3-9-20)13-6-7-15(11-13)19-18(25)21-10-4-5-14(12-21)17(23)24/h13-15H,1-12H2,(H,19,25)(H,23,24)/t13-,14?,15+/m1/s1
InChIKeyJBGOJTZQPVPXCZ-LOWNFYCTSA-N
MW351.45 g/mol
LogP1.67
Rot. Bonds3

About 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid

1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122013071) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122013071
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1
InChIInChI=1S/C18H29N3O4/c22-16(20-8-2-1-3-9-20)13-6-7-15(11-13)19-18(25)21-10-4-5-14(12-21)17(23)24/h13-15H,1-12H2,(H,19,25)(H,23,24)/t13-,14?,15+/m1/s1
InChIKeyJBGOJTZQPVPXCZ-LOWNFYCTSA-N
XLogP1.67
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid (CID 122013071) is 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1.
What is the InChIKey of 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JBGOJTZQPVPXCZ-LOWNFYCTSA-N. The full InChI is InChI=1S/C18H29N3O4/c22-16(20-8-2-1-3-9-20)13-6-7-15(11-13)19-18(25)21-10-4-5-14(12-21)17(23)24/h13-15H,1-12H2,(H,19,25)(H,23,24)/t13-,14?,15+/m1/s1.
What are the key properties of 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122013071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).