2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H25N3O3 — CID 64815964

IUPAC2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCC(CNC(=O)NC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-17-7-5-10(6-8-17)9-15-14(20)16-12-4-2-3-11(12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyVVMWVXQEMLVLRX-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.88
Rot. Bonds4

About 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815964) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815964
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCC(CNC(=O)NC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-17-7-5-10(6-8-17)9-15-14(20)16-12-4-2-3-11(12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyVVMWVXQEMLVLRX-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid 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

2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641
2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817105
1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 95312621
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
CID 108902589
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 105419502
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
CID 117234638
1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 117234697

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64815964) is 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CN1CCC(CNC(=O)NC2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is VVMWVXQEMLVLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-17-7-5-10(6-8-17)9-15-14(20)16-12-4-2-3-11(12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).