N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide

C19H31N5O2 — CID 56905165

IUPACN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C19H31N5O2/c1-14(2)6-9-23-11-8-21-19(26)16(23)12-18(25)24(15-4-5-15)13-17-20-7-10-22(17)3/h7,10,14-16H,4-6,8-9,11-13H2,1-3H3,(H,21,26)
InChIKeyUMAFFTMZVPOALC-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.15
Rot. Bonds8

About N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide

N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 56905165) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID56905165
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C19H31N5O2/c1-14(2)6-9-23-11-8-21-19(26)16(23)12-18(25)24(15-4-5-15)13-17-20-7-10-22(17)3/h7,10,14-16H,4-6,8-9,11-13H2,1-3H3,(H,21,26)
InChIKeyUMAFFTMZVPOALC-UHFFFAOYSA-N
XLogP1.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 56915849
N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
CID 95727042
N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45180905
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
CID 45247520
(3S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
CID 26412996
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 45193091
2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 54871592
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-prop-2-enyl-N-prop-2-ynylacetamide
CID 42461957
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 102655899
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45171750

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 56905165) is N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1nccn1C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is UMAFFTMZVPOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(2)6-9-23-11-8-21-19(26)16(23)12-18(25)24(15-4-5-15)13-17-20-7-10-22(17)3/h7,10,14-16H,4-6,8-9,11-13H2,1-3H3,(H,21,26).
What are the key properties of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56905165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).