N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide

C35H39N3O — CID 20723045

IUPACN,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)C(=O)N(C)c1cccc(C2CCN(Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C35H39N3O/c1-27(2)35(39)36(3)34-16-10-11-30(25-34)29-21-23-37(24-22-29)26-28-17-19-33(20-18-28)38(31-12-6-4-7-13-31)32-14-8-5-9-15-32/h4-20,25,27,29H,21-24,26H2,1-3H3
InChIKeyRJPBNQWRFUXQTF-UHFFFAOYSA-N
MW517.72 g/mol
LogP8.15
Rot. Bonds8

About N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide

N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 20723045) has the molecular formula C35H39N3O and a molecular weight of 517.72 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
PubChem CID20723045
Molecular FormulaC35H39N3O
Molecular Weight517.72 g/mol
Exact Mass517.31
IUPAC NameN,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)C(=O)N(C)c1cccc(C2CCN(Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C35H39N3O/c1-27(2)35(39)36(3)34-16-10-11-30(25-34)29-21-23-37(24-22-29)26-28-17-19-33(20-18-28)38(31-12-6-4-7-13-31)32-14-8-5-9-15-32/h4-20,25,27,29H,21-24,26H2,1-3H3
InChIKeyRJPBNQWRFUXQTF-UHFFFAOYSA-N
XLogP8.15
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.72
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
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CID 122033759
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
N,2-dimethyl-N-(4-phenylpiperidin-1-yl)propanamide
CID 67402424
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048629
1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine
CID 167257719
2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 142203769

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide (CID 20723045) is N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide is CC(C)C(=O)N(C)c1cccc(C2CCN(Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)CC2)c1.
What is the InChIKey of N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is RJPBNQWRFUXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N3O/c1-27(2)35(39)36(3)34-16-10-11-30(25-34)29-21-23-37(24-22-29)26-28-17-19-33(20-18-28)38(31-12-6-4-7-13-31)32-14-8-5-9-15-32/h4-20,25,27,29H,21-24,26H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 517.72 g/mol, XLogP of 8.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 20723045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).