1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

C18H28N4O2 — CID 72842055

IUPAC1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nccn1C
InChIInChI=1S/C18H28N4O2/c1-12(2)15(16-19-8-11-21(16)3)20-17(23)13-6-9-22(10-7-13)18(24)14-4-5-14/h8,11-15H,4-7,9-10H2,1-3H3,(H,20,23)
InChIKeyGNLMDVNOWRAVBX-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.88
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 72842055) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
PubChem CID72842055
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nccn1C
InChIInChI=1S/C18H28N4O2/c1-12(2)15(16-19-8-11-21(16)3)20-17(23)13-6-9-22(10-7-13)18(24)14-4-5-14/h8,11-15H,4-7,9-10H2,1-3H3,(H,20,23)
InChIKeyGNLMDVNOWRAVBX-UHFFFAOYSA-N
XLogP1.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 47253569
N-[2-(pyrazin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502105
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
N-(dicyclopropylmethyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53572946
N-(dicyclopropylmethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53582451
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 53617715
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (CID 72842055) is 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is CC(C)C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nccn1C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is GNLMDVNOWRAVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(2)15(16-19-8-11-21(16)3)20-17(23)13-6-9-22(10-7-13)18(24)14-4-5-14/h8,11-15H,4-7,9-10H2,1-3H3,(H,20,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72842055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).