(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride

C14H25ClN4O — CID 141479994

IUPAC(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
SMILESCCCN1CCCC[C@H]1C(=O)Nc1c(C)cnn1C.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-4-8-18-9-6-5-7-12(18)14(19)16-13-11(2)10-15-17(13)3;/h10,12H,4-9H2,1-3H3,(H,16,19);1H/t12-;/m0./s1
InChIKeyFNRLEQHWJSTLCE-YDALLXLXSA-N
MW300.83 g/mol
LogP2.35
Rot. Bonds4

About (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride

(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride (PubChem CID 141479994) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
PubChem CID141479994
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
SMILESCCCN1CCCC[C@H]1C(=O)Nc1c(C)cnn1C.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-4-8-18-9-6-5-7-12(18)14(19)16-13-11(2)10-15-17(13)3;/h10,12H,4-9H2,1-3H3,(H,16,19);1H/t12-;/m0./s1
InChIKeyFNRLEQHWJSTLCE-YDALLXLXSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 46988576
N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 52380716
(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97218811
N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 132406295
N-(4-methyl-1-propyl-1H-pyrazol-5-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 132409067
2-(acetylamino)-N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)acetamide
CID 132410423
5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 138036938
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide
CID 164633604
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide
CID 164639224
N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908773
N-(1,4-dimethylpyrazol-5-yl)-1-ethylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154888716

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride (CID 141479994) is (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride is CCCN1CCCC[C@H]1C(=O)Nc1c(C)cnn1C.Cl.
What is the InChIKey of (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is FNRLEQHWJSTLCE-YDALLXLXSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-4-8-18-9-6-5-7-12(18)14(19)16-13-11(2)10-15-17(13)3;/h10,12H,4-9H2,1-3H3,(H,16,19);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 141479994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).