N-(3-hydroxypropyl)piperazine-1-carboxamide

C8H17N3O2 — CID 127561442

IUPACN-(3-hydroxypropyl)piperazine-1-carboxamide
SMILESO=C(NCCCO)N1CCNCC1
InChIInChI=1S/C8H17N3O2/c12-7-1-2-10-8(13)11-5-3-9-4-6-11/h9,12H,1-7H2,(H,10,13)
InChIKeyBOXFRDWALCTKCF-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.02
Rot. Bonds3

About N-(3-hydroxypropyl)piperazine-1-carboxamide

N-(3-hydroxypropyl)piperazine-1-carboxamide (PubChem CID 127561442) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(3-hydroxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)piperazine-1-carboxamide
PubChem CID127561442
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-(3-hydroxypropyl)piperazine-1-carboxamide
SMILESO=C(NCCCO)N1CCNCC1
InChIInChI=1S/C8H17N3O2/c12-7-1-2-10-8(13)11-5-3-9-4-6-11/h9,12H,1-7H2,(H,10,13)
InChIKeyBOXFRDWALCTKCF-UHFFFAOYSA-N
XLogP-1.02
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.02
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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Related Compounds

N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
N-ethylpiperazine-1-carboxamide
CID 9207783
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476993
N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
CID 82291687
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-butylaziridine-1-carboxamide
CID 55206947
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)piperazine-1-carboxamide (CID 127561442) is N-(3-hydroxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)piperazine-1-carboxamide is O=C(NCCCO)N1CCNCC1.
What is the InChIKey of N-(3-hydroxypropyl)piperazine-1-carboxamide?
The InChIKey is BOXFRDWALCTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c12-7-1-2-10-8(13)11-5-3-9-4-6-11/h9,12H,1-7H2,(H,10,13).
What are the key properties of N-(3-hydroxypropyl)piperazine-1-carboxamide?
N-(3-hydroxypropyl)piperazine-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 127561442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).