3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide

C17H28N4O — CID 119854588

IUPAC3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide
SMILESCC(CC(=O)NCCCNc1ccccn1)C1CCNCC1
InChIInChI=1S/C17H28N4O/c1-14(15-6-11-18-12-7-15)13-17(22)21-10-4-9-20-16-5-2-3-8-19-16/h2-3,5,8,14-15,18H,4,6-7,9-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyMIOPVLOCUVKIOZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.03
Rot. Bonds8

About 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide

3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide (PubChem CID 119854588) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide
PubChem CID119854588
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide
SMILESCC(CC(=O)NCCCNc1ccccn1)C1CCNCC1
InChIInChI=1S/C17H28N4O/c1-14(15-6-11-18-12-7-15)13-17(22)21-10-4-9-20-16-5-2-3-8-19-16/h2-3,5,8,14-15,18H,4,6-7,9-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyMIOPVLOCUVKIOZ-UHFFFAOYSA-N
XLogP2.03
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 119854606
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721
3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902308
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119874720

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide (CID 119854588) is 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide is CC(CC(=O)NCCCNc1ccccn1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide?
The InChIKey is MIOPVLOCUVKIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(15-6-11-18-12-7-15)13-17(22)21-10-4-9-20-16-5-2-3-8-19-16/h2-3,5,8,14-15,18H,4,6-7,9-13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide?
3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide has a molecular weight of 304.44 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide is sourced from PubChem (CID 119854588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).