4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide

C11H20N6O2 — CID 166263013

IUPAC4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCn1cnnn1)N1CCC(CO)CC1
InChIInChI=1S/C11H20N6O2/c18-8-10-2-6-16(7-3-10)11(19)12-4-1-5-17-9-13-14-15-17/h9-10,18H,1-8H2,(H,12,19)
InChIKeyYXGNHWSIRQRNCM-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.52
Rot. Bonds5

About 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 166263013) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide
PubChem CID166263013
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCn1cnnn1)N1CCC(CO)CC1
InChIInChI=1S/C11H20N6O2/c18-8-10-2-6-16(7-3-10)11(19)12-4-1-5-17-9-13-14-15-17/h9-10,18H,1-8H2,(H,12,19)
InChIKeyYXGNHWSIRQRNCM-UHFFFAOYSA-N
XLogP-0.52
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide 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

4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686905
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896638
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111428421
N-[3-(1,2,4-triazol-1-yl)propyl]azepane-1-carboxamide
CID 53498860

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide (CID 166263013) is 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide is O=C(NCCCn1cnnn1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is YXGNHWSIRQRNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c18-8-10-2-6-16(7-3-10)11(19)12-4-1-5-17-9-13-14-15-17/h9-10,18H,1-8H2,(H,12,19).
What are the key properties of 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 166263013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).