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

C20H29N3O3 — CID 113309373

IUPAC1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c24-18(25)20(10-4-5-11-20)15-21-19(26)22-17-9-6-12-23(14-17)13-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2,(H,24,25)(H2,21,22,26)
InChIKeyHSCWZBDNTWEXGS-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.60
Rot. Bonds6

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

1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309373) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309373
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c24-18(25)20(10-4-5-11-20)15-21-19(26)22-17-9-6-12-23(14-17)13-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2,(H,24,25)(H2,21,22,26)
InChIKeyHSCWZBDNTWEXGS-UHFFFAOYSA-N
XLogP2.60
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451388
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 65105573
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
1-(1-benzylazocan-3-yl)-3-[(6-oxo-1H-pyridazin-3-yl)methyl]urea
CID 138056976

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 113309373) is 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HSCWZBDNTWEXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-18(25)20(10-4-5-11-20)15-21-19(26)22-17-9-6-12-23(14-17)13-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2,(H,24,25)(H2,21,22,26).
What are the key properties of 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).