N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide

C14H22N4O2 — CID 91829764

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESCn1ccnc1CCNC(=O)CCN1CCCCC1=O
InChIInChI=1S/C14H22N4O2/c1-17-11-8-15-12(17)5-7-16-13(19)6-10-18-9-3-2-4-14(18)20/h8,11H,2-7,9-10H2,1H3,(H,16,19)
InChIKeyAWQFCGYEHVLPKW-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide

N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 91829764) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID91829764
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESCn1ccnc1CCNC(=O)CCN1CCCCC1=O
InChIInChI=1S/C14H22N4O2/c1-17-11-8-15-12(17)5-7-16-13(19)6-10-18-9-3-2-4-14(18)20/h8,11H,2-7,9-10H2,1H3,(H,16,19)
InChIKeyAWQFCGYEHVLPKW-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
Treamid
CID 86567101
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
N,2-dibutylimidazole-1-carboxamide
CID 44306016
(2S)-2-amino-3-(1H-imidazol-2-yl)-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide
CID 44330839
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 47253569
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53571950
2-Methyl-6-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 53609600
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
CID 56778639

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide (CID 91829764) is N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide is Cn1ccnc1CCNC(=O)CCN1CCCCC1=O.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is AWQFCGYEHVLPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-11-8-15-12(17)5-7-16-13(19)6-10-18-9-3-2-4-14(18)20/h8,11H,2-7,9-10H2,1H3,(H,16,19).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 91829764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).