3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate

C12H19N3O2 — CID 10522002

IUPAC3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
SMILESO=C(OCCCc1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C12H19N3O2/c16-12(15-6-2-1-3-7-15)17-8-4-5-11-9-13-10-14-11/h9-10H,1-8H2,(H,13,14)
InChIKeyKMDFPHOJMHYDGS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.96
Rot. Bonds4

About 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate

3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate (PubChem CID 10522002) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
PubChem CID10522002
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
SMILESO=C(OCCCc1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C12H19N3O2/c16-12(15-6-2-1-3-7-15)17-8-4-5-11-9-13-10-14-11/h9-10H,1-8H2,(H,13,14)
InChIKeyKMDFPHOJMHYDGS-UHFFFAOYSA-N
XLogP1.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 10828008
3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
butyl (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 96573403
5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
CID 11231249
3-(1H-imidazol-5-yl)propyl N-(trifluoromethyl)carbamate
CID 19710619
2-[3-(1H-imidazol-5-yl)propoxy]acetic acid;hydrochloride
CID 19766310
ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
CID 110697880
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methylbutanoate
CID 10334021
3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate
CID 10062176

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate (CID 10522002) is 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate is O=C(OCCCc1cnc[nH]1)N1CCCCC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate?
The InChIKey is KMDFPHOJMHYDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(15-6-2-1-3-7-15)17-8-4-5-11-9-13-10-14-11/h9-10H,1-8H2,(H,13,14).
What are the key properties of 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate?
3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate is sourced from PubChem (CID 10522002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).