(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide

C18H31N5O2 — CID 97217564

IUPAC(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
SMILESCC[C@H](C)n1nccc1NC(=O)[C@H](C)N[C@@H]1CCN(C(C)=O)C[C@@H]1C
InChIInChI=1S/C18H31N5O2/c1-6-13(3)23-17(7-9-19-23)21-18(25)14(4)20-16-8-10-22(15(5)24)11-12(16)2/h7,9,12-14,16,20H,6,8,10-11H2,1-5H3,(H,21,25)/t12-,13-,14-,16+/m0/s1
InChIKeyCNRCZBDPEIZHPC-RZLSGREXSA-N
MW349.48 g/mol
LogP2.03
Rot. Bonds6

About (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide

(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide (PubChem CID 97217564) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
PubChem CID97217564
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
SMILESCC[C@H](C)n1nccc1NC(=O)[C@H](C)N[C@@H]1CCN(C(C)=O)C[C@@H]1C
InChIInChI=1S/C18H31N5O2/c1-6-13(3)23-17(7-9-19-23)21-18(25)14(4)20-16-8-10-22(15(5)24)11-12(16)2/h7,9,12-14,16,20H,6,8,10-11H2,1-5H3,(H,21,25)/t12-,13-,14-,16+/m0/s1
InChIKeyCNRCZBDPEIZHPC-RZLSGREXSA-N
XLogP2.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 100837005
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide
CID 97093430
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 124742294
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
CID 95329138
(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 98890548
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
(2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 124862133
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
[(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 (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide (CID 97217564) is (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide is CC[C@H](C)n1nccc1NC(=O)[C@H](C)N[C@@H]1CCN(C(C)=O)C[C@@H]1C.
What is the InChIKey of (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
The InChIKey is CNRCZBDPEIZHPC-RZLSGREXSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-6-13(3)23-17(7-9-19-23)21-18(25)14(4)20-16-8-10-22(15(5)24)11-12(16)2/h7,9,12-14,16,20H,6,8,10-11H2,1-5H3,(H,21,25)/t12-,13-,14-,16+/m0/s1.
What are the key properties of (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide?
(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 97217564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).