4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide

C16H31N3O2 — CID 111507440

IUPAC4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-13(20)10-16(2,3)12-17-15(21)19-8-6-18(7-9-19)11-14-4-5-14/h13-14,20H,4-12H2,1-3H3,(H,17,21)
InChIKeyMCECYQNGIDIJAO-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.52
Rot. Bonds6

About 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide

4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide (PubChem CID 111507440) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
PubChem CID111507440
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-13(20)10-16(2,3)12-17-15(21)19-8-6-18(7-9-19)11-14-4-5-14/h13-14,20H,4-12H2,1-3H3,(H,17,21)
InChIKeyMCECYQNGIDIJAO-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507298
N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
2-[[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65223636
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 111507311
N-(4-hydroxy-2,2-dimethylpentyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 111507523
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 111507302
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801744
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
N-(4-hydroxy-2,2-dimethylpentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 111507564
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 111507392

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide (CID 111507440) is 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide is CC(O)CC(C)(C)CNC(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
The InChIKey is MCECYQNGIDIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(20)10-16(2,3)12-17-15(21)19-8-6-18(7-9-19)11-14-4-5-14/h13-14,20H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide is sourced from PubChem (CID 111507440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).