(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide

C17H29N5O2 — CID 100837005

IUPAC(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
SMILESCC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](NC(C)=O)C1
InChIInChI=1S/C17H29N5O2/c1-5-12(2)22-16(8-9-18-22)20-17(24)13(3)21-10-6-7-15(11-21)19-14(4)23/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,19,23)(H,20,24)/t12-,13+,15+/m0/s1
InChIKeyDMANJWHSLIHSFA-GZBFAFLISA-N
MW335.45 g/mol
LogP1.78
Rot. Bonds6

About (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide

(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide (PubChem CID 100837005) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
PubChem CID100837005
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
SMILESCC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](NC(C)=O)C1
InChIInChI=1S/C17H29N5O2/c1-5-12(2)22-16(8-9-18-22)20-17(24)13(3)21-10-6-7-15(11-21)19-14(4)23/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,19,23)(H,20,24)/t12-,13+,15+/m0/s1
InChIKeyDMANJWHSLIHSFA-GZBFAFLISA-N
XLogP1.78
TPSA79.26 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
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(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
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2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
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(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
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2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 97217564
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 124823488

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
The IUPAC name of (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide (CID 100837005) is (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide is CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](NC(C)=O)C1.
What is the InChIKey of (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
The InChIKey is DMANJWHSLIHSFA-GZBFAFLISA-N. The full InChI is InChI=1S/C17H29N5O2/c1-5-12(2)22-16(8-9-18-22)20-17(24)13(3)21-10-6-7-15(11-21)19-14(4)23/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,19,23)(H,20,24)/t12-,13+,15+/m0/s1.
What are the key properties of (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 100837005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).