(3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide

C22H40N4O2 — CID 100655923

IUPAC(3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCN2C2CCCCC2)C1
InChIInChI=1S/C22H40N4O2/c1-3-24(4-2)22(28)25-14-8-10-18(17-25)21(27)23-16-20-13-9-15-26(20)19-11-6-5-7-12-19/h18-20H,3-17H2,1-2H3,(H,23,27)/t18-,20+/m1/s1
InChIKeyGBPCDLIELTWAMC-QUCCMNQESA-N
MW392.59 g/mol
LogP3.07
Rot. Bonds6

About (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide

(3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide (PubChem CID 100655923) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
PubChem CID100655923
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name(3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCN2C2CCCCC2)C1
InChIInChI=1S/C22H40N4O2/c1-3-24(4-2)22(28)25-14-8-10-18(17-25)21(27)23-16-20-13-9-15-26(20)19-11-6-5-7-12-19/h18-20H,3-17H2,1-2H3,(H,23,27)/t18-,20+/m1/s1
InChIKeyGBPCDLIELTWAMC-QUCCMNQESA-N
XLogP3.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
(3S)-1-(cyclopropanecarbonyl)-N-[[(2S)-1-ethylpiperidin-2-yl]methyl]piperidine-3-carboxamide
CID 124831833
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
3-N-[(3-hydroxycyclobutyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 66004333
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
CID 10684329
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
CID 51941096

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide (CID 100655923) is (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCN2C2CCCCC2)C1.
What is the InChIKey of (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The InChIKey is GBPCDLIELTWAMC-QUCCMNQESA-N. The full InChI is InChI=1S/C22H40N4O2/c1-3-24(4-2)22(28)25-14-8-10-18(17-25)21(27)23-16-20-13-9-15-26(20)19-11-6-5-7-12-19/h18-20H,3-17H2,1-2H3,(H,23,27)/t18-,20+/m1/s1.
What are the key properties of (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide has a molecular weight of 392.59 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 100655923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).