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

C18H31N5O2 — CID 53499360

IUPAC2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide
SMILESCCC(C)n1nccc1NC(=O)C(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)
InChIKeyNSTOTNTTZGEMMS-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.03
Rot. Bonds7

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

2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide (PubChem CID 53499360) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide
PubChem CID53499360
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide
SMILESCCC(C)n1nccc1NC(=O)C(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)
InChIKeyNSTOTNTTZGEMMS-UHFFFAOYSA-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

N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53590617
tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 56783438
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009
2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 72119584
2-[(1S*,5R*)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-N-(1-methyl-1H-pyrazol-3-yl)acetamide
CID 133110329
2-Piperidinone, 3-amino-1-(1-methyl-1H-pyrazol-3-yl)-
CID 54595667
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(1-{1-[2-(1H-pyrazol-1-yl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 25381393

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide (CID 53499360) is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide is CCC(C)n1nccc1NC(=O)C(C)N1CCC(CNC(C)=O)CC1.
What is the InChIKey of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is NSTOTNTTZGEMMS-UHFFFAOYSA-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).
What are the key properties of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide?
2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-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 2-[4-(acetamidomethyl)piperidin-1-yl]-N-(2-butan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 53499360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).