(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide

C14H24N4O — CID 98752523

IUPAC(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H]1CCCN(CCNC(=O)[C@H](C)n2cccn2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-3-8-17(11-12)10-7-15-14(19)13(2)18-9-4-6-16-18/h4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3,(H,15,19)/t12-,13-/m0/s1
InChIKeySTCXRFWUHRZVNB-STQMWFEESA-N
MW264.37 g/mol
LogP1.29
Rot. Bonds5

About (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 98752523) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID98752523
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H]1CCCN(CCNC(=O)[C@H](C)n2cccn2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-3-8-17(11-12)10-7-15-14(19)13(2)18-9-4-6-16-18/h4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3,(H,15,19)/t12-,13-/m0/s1
InChIKeySTCXRFWUHRZVNB-STQMWFEESA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
CID 119851018
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 110896167
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 62574451
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111000754

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide (CID 98752523) is (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide is C[C@H]1CCCN(CCNC(=O)[C@H](C)n2cccn2)C1.
What is the InChIKey of (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is STCXRFWUHRZVNB-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-5-3-8-17(11-12)10-7-15-14(19)13(2)18-9-4-6-16-18/h4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3,(H,15,19)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 98752523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).