3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H25N3O3 — CID 66030045

IUPAC3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCN1CCCC(NC(=O)NC2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-2-17-7-3-4-12(9-17)16-14(20)15-11-6-5-10(8-11)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyPVOLMDNQVFBBBL-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds4

About 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66030045) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66030045
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCN1CCCC(NC(=O)NC2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-2-17-7-3-4-12(9-17)16-14(20)15-11-6-5-10(8-11)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyPVOLMDNQVFBBBL-UHFFFAOYSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-ethylpiperidin-3-yl)urea
CID 75404998
1-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 124737020
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61478315
3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119862380
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838981
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 61478336
1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451388
3-[(1-ethylazepan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65077252

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 66030045) is 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CCN1CCCC(NC(=O)NC2CCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PVOLMDNQVFBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-17-7-3-4-12(9-17)16-14(20)15-11-6-5-10(8-11)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).