(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide

C18H30N4O2 — CID 98756044

IUPAC(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
SMILESCC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Cn2cccn2)C1
InChIInChI=1S/C18H30N4O2/c1-4-15(3)18(24)21-9-5-7-16(13-21)17(23)19-11-14(2)12-22-10-6-8-20-22/h6,8,10,14-16H,4-5,7,9,11-13H2,1-3H3,(H,19,23)/t14-,15-,16+/m0/s1
InChIKeyGZPUPMMSVMGIEK-HRCADAONSA-N
MW334.46 g/mol
LogP1.92
Rot. Bonds7

About (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide

(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide (PubChem CID 98756044) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
PubChem CID98756044
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
SMILESCC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Cn2cccn2)C1
InChIInChI=1S/C18H30N4O2/c1-4-15(3)18(24)21-9-5-7-16(13-21)17(23)19-11-14(2)12-22-10-6-8-20-22/h6,8,10,14-16H,4-5,7,9,11-13H2,1-3H3,(H,19,23)/t14-,15-,16+/m0/s1
InChIKeyGZPUPMMSVMGIEK-HRCADAONSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119734117
N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119295241
4-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,4-diazepane-1-carboxamide
CID 86802773
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119734111
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97228827
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
4-(1-hydroxyethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 111438395
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 97095575

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide (CID 98756044) is (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide is CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Cn2cccn2)C1.
What is the InChIKey of (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide?
The InChIKey is GZPUPMMSVMGIEK-HRCADAONSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-15(3)18(24)21-9-5-7-16(13-21)17(23)19-11-14(2)12-22-10-6-8-20-22/h6,8,10,14-16H,4-5,7,9,11-13H2,1-3H3,(H,19,23)/t14-,15-,16+/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide?
(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 98756044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).