N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide

C14H27N3O3 — CID 60953715

IUPACN-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide
SMILESCNCCCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H27N3O3/c1-15-7-2-4-13(19)17-9-5-12(6-10-17)14(20)16-8-3-11-18/h12,15,18H,2-11H2,1H3,(H,16,20)
InChIKeyWKWKYGFBSDSQBF-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.28
Rot. Bonds8

About N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide (PubChem CID 60953715) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide
PubChem CID60953715
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide
SMILESCNCCCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H27N3O3/c1-15-7-2-4-13(19)17-9-5-12(6-10-17)14(20)16-8-3-11-18/h12,15,18H,2-11H2,1H3,(H,16,20)
InChIKeyWKWKYGFBSDSQBF-UHFFFAOYSA-N
XLogP-0.28
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide (CID 60953715) is N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide is CNCCCC(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide?
The InChIKey is WKWKYGFBSDSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-15-7-2-4-13(19)17-9-5-12(6-10-17)14(20)16-8-3-11-18/h12,15,18H,2-11H2,1H3,(H,16,20).
What are the key properties of N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 60953715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).