(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide

C23H28N4O — CID 41337356

IUPAC(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C23H28N4O/c1-18(23(28)25-21-12-6-4-10-19(21)16-24)26(2)17-20-11-5-7-13-22(20)27-14-8-3-9-15-27/h4-7,10-13,18H,3,8-9,14-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyPQZUCVDMMIEZLJ-GOSISDBHSA-N
MW376.50 g/mol
LogP4.01
Rot. Bonds6

About (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide

(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide (PubChem CID 41337356) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
PubChem CID41337356
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C23H28N4O/c1-18(23(28)25-21-12-6-4-10-19(21)16-24)26(2)17-20-11-5-7-13-22(20)27-14-8-3-9-15-27/h4-7,10-13,18H,3,8-9,14-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyPQZUCVDMMIEZLJ-GOSISDBHSA-N
XLogP4.01
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
(2R)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(4-nitrophenyl)propanamide
CID 40795616
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 24573425
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide (CID 41337356) is (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide is C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccccc1N1CCCCC1.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
The InChIKey is PQZUCVDMMIEZLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18(23(28)25-21-12-6-4-10-19(21)16-24)26(2)17-20-11-5-7-13-22(20)27-14-8-3-9-15-27/h4-7,10-13,18H,3,8-9,14-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide has a molecular weight of 376.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 41337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).