N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide

C23H36N4O2 — CID 86881037

IUPACN-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-25(18-20-8-4-2-5-9-20)22(28)12-13-24-23(29)27-16-14-26(15-17-27)19-21-10-6-3-7-11-21/h2,4-5,8-9,21H,3,6-7,10-19H2,1H3,(H,24,29)
InChIKeyLELILBDJHLSGMS-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.94
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide

N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide (PubChem CID 86881037) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
PubChem CID86881037
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-25(18-20-8-4-2-5-9-20)22(28)12-13-24-23(29)27-16-14-26(15-17-27)19-21-10-6-3-7-11-21/h2,4-5,8-9,21H,3,6-7,10-19H2,1H3,(H,24,29)
InChIKeyLELILBDJHLSGMS-UHFFFAOYSA-N
XLogP2.94
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
CID 95309425
4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020
4-(cyclohexylmethyl)-N-[3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxamide
CID 86973304
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-methylpropanamide
CID 111959325
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 55955450
trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95596952
N-benzyl-3-[[N-[2-(2-ethylpiperidin-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111568195
N-benzyl-3-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111919433
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119843113
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide (CID 86881037) is N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide is CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
The InChIKey is LELILBDJHLSGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-25(18-20-8-4-2-5-9-20)22(28)12-13-24-23(29)27-16-14-26(15-17-27)19-21-10-6-3-7-11-21/h2,4-5,8-9,21H,3,6-7,10-19H2,1H3,(H,24,29).
What are the key properties of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86881037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).