4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid

C14H27N3O2 — CID 118140402

IUPAC4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NCCCN2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c18-14(19)17-11-5-13(6-12-17)15-7-4-10-16-8-2-1-3-9-16/h13,15H,1-12H2,(H,18,19)
InChIKeyZMSDRJTZYABXTC-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.59
Rot. Bonds5

About 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid

4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid (PubChem CID 118140402) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
PubChem CID118140402
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NCCCN2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c18-14(19)17-11-5-13(6-12-17)15-7-4-10-16-8-2-1-3-9-16/h13,15H,1-12H2,(H,18,19)
InChIKeyZMSDRJTZYABXTC-UHFFFAOYSA-N
XLogP1.59
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-piperidin-1-ylpropylamino)piperidine-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

N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
N-(3-piperidin-1-ylpropyl)spiro[4.5]decan-8-amine
CID 114817155
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 60843562
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
4-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073653
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid (CID 118140402) is 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid is O=C(O)N1CCC(NCCCN2CCCCC2)CC1.
What is the InChIKey of 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid?
The InChIKey is ZMSDRJTZYABXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-14(19)17-11-5-13(6-12-17)15-7-4-10-16-8-2-1-3-9-16/h13,15H,1-12H2,(H,18,19).
What are the key properties of 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid?
4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid has a molecular weight of 269.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 118140402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).