(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide

C20H32N4O — CID 95786677

IUPAC(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@H]1CCN(C(=O)Nc2ccccc2N2CCCCC2)C1
InChIInChI=1S/C20H32N4O/c1-3-22(2)15-17-11-14-24(16-17)20(25)21-18-9-5-6-10-19(18)23-12-7-4-8-13-23/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyLFZITNWNDBZZLE-QGZVFWFLSA-N
MW344.50 g/mol
LogP3.48
Rot. Bonds5

About (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide

(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 95786677) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID95786677
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@H]1CCN(C(=O)Nc2ccccc2N2CCCCC2)C1
InChIInChI=1S/C20H32N4O/c1-3-22(2)15-17-11-14-24(16-17)20(25)21-18-9-5-6-10-19(18)23-12-7-4-8-13-23/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyLFZITNWNDBZZLE-QGZVFWFLSA-N
XLogP3.48
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-ethylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 97221170
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 167840474
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 97028218
(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783484
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide (CID 95786677) is (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide is CCN(C)C[C@H]1CCN(C(=O)Nc2ccccc2N2CCCCC2)C1.
What is the InChIKey of (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is LFZITNWNDBZZLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-22(2)15-17-11-14-24(16-17)20(25)21-18-9-5-6-10-19(18)23-12-7-4-8-13-23/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95786677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).