N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C17H29N5O2 — CID 56744490

IUPACN-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C17H29N5O2/c1-4-14(18)17(24)21-9-6-13(7-10-21)22-15(5-8-19-22)20-16(23)11-12(2)3/h5,8,12-14H,4,6-7,9-11,18H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyAKDCYOWEYGNIFE-AWEZNQCLSA-N
MW335.45 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 56744490) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID56744490
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C17H29N5O2/c1-4-14(18)17(24)21-9-6-13(7-10-21)22-15(5-8-19-22)20-16(23)11-12(2)3/h5,8,12-14H,4,6-7,9-11,18H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyAKDCYOWEYGNIFE-AWEZNQCLSA-N
XLogP1.77
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
CID 154884999
N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 26336788
3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42152409
3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25453298
N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 25286633
N-[2-[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 25377042
3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42508756
3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 56752573
3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42596631
N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide;hydrochloride
CID 154885901
3-methyl-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25456681
N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 30854337

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 56744490) is N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is CC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1.
What is the InChIKey of N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is AKDCYOWEYGNIFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-14(18)17(24)21-9-6-13(7-10-21)22-15(5-8-19-22)20-16(23)11-12(2)3/h5,8,12-14H,4,6-7,9-11,18H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 335.45 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 N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 56744490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).