N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide

C30H34N2O2 — CID 45175801

IUPACN-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
SMILESCN1CCCC(COc2cccc(CN(C(=O)c3ccc(-c4ccccc4)cc3)C3CC3)c2)C1
InChIInChI=1S/C30H34N2O2/c1-31-18-6-8-24(20-31)22-34-29-11-5-7-23(19-29)21-32(28-16-17-28)30(33)27-14-12-26(13-15-27)25-9-3-2-4-10-25/h2-5,7,9-15,19,24,28H,6,8,16-18,20-22H2,1H3
InChIKeySDBLEKSXUJZUKR-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.88
Rot. Bonds8

About N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide

N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide (PubChem CID 45175801) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
PubChem CID45175801
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC NameN-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
SMILESCN1CCCC(COc2cccc(CN(C(=O)c3ccc(-c4ccccc4)cc3)C3CC3)c2)C1
InChIInChI=1S/C30H34N2O2/c1-31-18-6-8-24(20-31)22-34-29-11-5-7-23(19-29)21-32(28-16-17-28)30(33)27-14-12-26(13-15-27)25-9-3-2-4-10-25/h2-5,7,9-15,19,24,28H,6,8,16-18,20-22H2,1H3
InChIKeySDBLEKSXUJZUKR-UHFFFAOYSA-N
XLogP5.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934
N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 42501567
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42499458
(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42368051
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide
CID 42377641
1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine
CID 54453009
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643441

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide?
The IUPAC name of N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide (CID 45175801) is N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide is CN1CCCC(COc2cccc(CN(C(=O)c3ccc(-c4ccccc4)cc3)C3CC3)c2)C1.
What is the InChIKey of N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide?
The InChIKey is SDBLEKSXUJZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-31-18-6-8-24(20-31)22-34-29-11-5-7-23(19-29)21-32(28-16-17-28)30(33)27-14-12-26(13-15-27)25-9-3-2-4-10-25/h2-5,7,9-15,19,24,28H,6,8,16-18,20-22H2,1H3.
What are the key properties of N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide?
N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide has a molecular weight of 454.61 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 45175801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).