(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide

C18H31N5O2 — CID 94183815

IUPAC(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C18H31N5O2/c1-5-13(2)23-17(6-9-20-23)21-18(25)14(3)22-10-7-16(8-11-22)12-19-15(4)24/h6,9,13-14,16H,5,7-8,10-12H2,1-4H3,(H,19,24)(H,21,25)/t13-,14-/m1/s1
InChIKeyNSTOTNTTZGEMMS-ZIAGYGMSSA-N
MW349.48 g/mol
LogP2.03
Rot. Bonds7

About (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide

(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide (PubChem CID 94183815) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
PubChem CID94183815
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C18H31N5O2/c1-5-13(2)23-17(6-9-20-23)21-18(25)14(3)22-10-7-16(8-11-22)12-19-15(4)24/h6,9,13-14,16H,5,7-8,10-12H2,1-4H3,(H,19,24)(H,21,25)/t13-,14-/m1/s1
InChIKeyNSTOTNTTZGEMMS-ZIAGYGMSSA-N
XLogP2.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 100837005
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
(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
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
CID 55841833
[(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
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
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-nitrophenoxy)propanamide
CID 40674507

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide?
The IUPAC name of (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide (CID 94183815) is (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide is CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CNC(C)=O)CC1.
What is the InChIKey of (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide?
The InChIKey is NSTOTNTTZGEMMS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-5-13(2)23-17(6-9-20-23)21-18(25)14(3)22-10-7-16(8-11-22)12-19-15(4)24/h6,9,13-14,16H,5,7-8,10-12H2,1-4H3,(H,19,24)(H,21,25)/t13-,14-/m1/s1.
What are the key properties of (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide?
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 94183815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).