4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide

C16H29N5O2 — CID 111383894

IUPAC4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCC(N(C)CCCO)CC1
InChIInChI=1S/C16H29N5O2/c1-13(2)21-15(5-8-17-21)18-16(23)20-10-6-14(7-11-20)19(3)9-4-12-22/h5,8,13-14,22H,4,6-7,9-12H2,1-3H3,(H,18,23)
InChIKeyHXCCGTWNCGTTGX-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.77
Rot. Bonds6

About 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide

4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 111383894) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID111383894
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCC(N(C)CCCO)CC1
InChIInChI=1S/C16H29N5O2/c1-13(2)21-15(5-8-17-21)18-16(23)20-10-6-14(7-11-20)19(3)9-4-12-22/h5,8,13-14,22H,4,6-7,9-12H2,1-3H3,(H,18,23)
InChIKeyHXCCGTWNCGTTGX-UHFFFAOYSA-N
XLogP1.77
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)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-[3-hydroxypropyl(methyl)amino]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 71931015
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 75388055
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
CID 78772201
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
CID 71931011
(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 111102205
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 119034514
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
CID 72912494

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide (CID 111383894) is 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide is CC(C)n1nccc1NC(=O)N1CCC(N(C)CCCO)CC1.
What is the InChIKey of 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is HXCCGTWNCGTTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-13(2)21-15(5-8-17-21)18-16(23)20-10-6-14(7-11-20)19(3)9-4-12-22/h5,8,13-14,22H,4,6-7,9-12H2,1-3H3,(H,18,23).
What are the key properties of 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111383894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).