N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide

C21H32N6O2 — CID 131921194

IUPACN-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCC1CCCN(C(=O)Cc2c(C)n[nH]c2C)C1
InChIInChI=1S/C21H32N6O2/c1-4-19-22-8-11-26(19)10-7-20(28)23-13-17-6-5-9-27(14-17)21(29)12-18-15(2)24-25-16(18)3/h8,11,17H,4-7,9-10,12-14H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyNIONANJXZCNDHD-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.77
Rot. Bonds8

About N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide

N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 131921194) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID131921194
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC NameN-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCC1CCCN(C(=O)Cc2c(C)n[nH]c2C)C1
InChIInChI=1S/C21H32N6O2/c1-4-19-22-8-11-26(19)10-7-20(28)23-13-17-6-5-9-27(14-17)21(29)12-18-15(2)24-25-16(18)3/h8,11,17H,4-7,9-10,12-14H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyNIONANJXZCNDHD-UHFFFAOYSA-N
XLogP1.77
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124981044
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95714644
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 110113154
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyazepan-1-yl)ethanone
CID 131889726
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide
CID 131932994
4-[4-[[3-(2-ethylimidazol-1-yl)propanoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 131924590
N-[[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 131892617
1-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 70775945
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 131907519

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide (CID 131921194) is N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)NCC1CCCN(C(=O)Cc2c(C)n[nH]c2C)C1.
What is the InChIKey of N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is NIONANJXZCNDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-4-19-22-8-11-26(19)10-7-20(28)23-13-17-6-5-9-27(14-17)21(29)12-18-15(2)24-25-16(18)3/h8,11,17H,4-7,9-10,12-14H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 400.53 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 131921194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).