(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide

C18H26N4O2 — CID 118788710

IUPAC(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(N2CCC(NC(=O)[C@@H]3CCCN3C(N)=O)CC2)c1
InChIInChI=1S/C18H26N4O2/c1-13-4-2-5-15(12-13)21-10-7-14(8-11-21)20-17(23)16-6-3-9-22(16)18(19)24/h2,4-5,12,14,16H,3,6-11H2,1H3,(H2,19,24)(H,20,23)/t16-/m0/s1
InChIKeyNFNKSMZPDNJMPB-INIZCTEOSA-N
MW330.43 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 118788710) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID118788710
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(N2CCC(NC(=O)[C@@H]3CCCN3C(N)=O)CC2)c1
InChIInChI=1S/C18H26N4O2/c1-13-4-2-5-15(12-13)21-10-7-14(8-11-21)20-17(23)16-6-3-9-22(16)18(19)24/h2,4-5,12,14,16H,3,6-11H2,1H3,(H2,19,24)(H,20,23)/t16-/m0/s1
InChIKeyNFNKSMZPDNJMPB-INIZCTEOSA-N
XLogP1.62
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

formic acid;(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 171689581
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 71982060
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide
CID 118772808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide (CID 118788710) is (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide is Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCN3C(N)=O)CC2)c1.
What is the InChIKey of (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is NFNKSMZPDNJMPB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-4-2-5-15(12-13)21-10-7-14(8-11-21)20-17(23)16-6-3-9-22(16)18(19)24/h2,4-5,12,14,16H,3,6-11H2,1H3,(H2,19,24)(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 118788710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).