N-(3-hydroxypropyl)piperidine-4-carboxamide

C9H18N2O2 — CID 3612729

IUPACN-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c12-7-1-4-11-9(13)8-2-5-10-6-3-8/h8,10,12H,1-7H2,(H,11,13)
InChIKeySIWNVIUTLKFASK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.52
Rot. Bonds4

About N-(3-hydroxypropyl)piperidine-4-carboxamide

N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 3612729) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID3612729
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c12-7-1-4-11-9(13)8-2-5-10-6-3-8/h8,10,12H,1-7H2,(H,11,13)
InChIKeySIWNVIUTLKFASK-UHFFFAOYSA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 3612729) is N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)piperidine-4-carboxamide is O=C(NCCCO)C1CCNCC1.
What is the InChIKey of N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is SIWNVIUTLKFASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-7-1-4-11-9(13)8-2-5-10-6-3-8/h8,10,12H,1-7H2,(H,11,13).
What are the key properties of N-(3-hydroxypropyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3612729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).