(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

C19H26N4O — CID 95609157

IUPAC(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H26N4O/c1-16(19(24)20-14-17-8-3-2-4-9-17)23-13-6-5-10-18(23)15-22-12-7-11-21-22/h2-4,7-9,11-12,16,18H,5-6,10,13-15H2,1H3,(H,20,24)/t16-,18+/m0/s1
InChIKeyGDAJANGULPPFOG-FUHWJXTLSA-N
MW326.44 g/mol
LogP2.44
Rot. Bonds6

About (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 95609157) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID95609157
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H26N4O/c1-16(19(24)20-14-17-8-3-2-4-9-17)23-13-6-5-10-18(23)15-22-12-7-11-21-22/h2-4,7-9,11-12,16,18H,5-6,10,13-15H2,1H3,(H,20,24)/t16-,18+/m0/s1
InChIKeyGDAJANGULPPFOG-FUHWJXTLSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95354497
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447803
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129446573
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359
(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426199
1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56802669
(2R)-2-(benzimidazol-1-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 95609157) is (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NCc1ccccc1)N1CCCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is GDAJANGULPPFOG-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H26N4O/c1-16(19(24)20-14-17-8-3-2-4-9-17)23-13-6-5-10-18(23)15-22-12-7-11-21-22/h2-4,7-9,11-12,16,18H,5-6,10,13-15H2,1H3,(H,20,24)/t16-,18+/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95609157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).