N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide

C23H29N3O — CID 70810946

IUPACN-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
SMILESCN1CCC(CN[C@@H]2C[C@H]2c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O/c1-26-13-11-17(12-14-26)16-24-22-15-21(22)18-7-9-20(10-8-18)25-23(27)19-5-3-2-4-6-19/h2-10,17,21-22,24H,11-16H2,1H3,(H,25,27)/t21-,22+/m0/s1
InChIKeyFRANCEYFJKYLQO-FCHUYYIVSA-N
MW363.51 g/mol
LogP3.73
Rot. Bonds6

About N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide

N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide (PubChem CID 70810946) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
PubChem CID70810946
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
SMILESCN1CCC(CN[C@@H]2C[C@H]2c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O/c1-26-13-11-17(12-14-26)16-24-22-15-21(22)18-7-9-20(10-8-18)25-23(27)19-5-3-2-4-6-19/h2-10,17,21-22,24H,11-16H2,1H3,(H,25,27)/t21-,22+/m0/s1
InChIKeyFRANCEYFJKYLQO-FCHUYYIVSA-N
XLogP3.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide 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

4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 71260532
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
CID 90214000
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 71260518
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide?
The IUPAC name of N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide (CID 70810946) is N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide is CN1CCC(CN[C@@H]2C[C@H]2c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide?
The InChIKey is FRANCEYFJKYLQO-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H29N3O/c1-26-13-11-17(12-14-26)16-24-22-15-21(22)18-7-9-20(10-8-18)25-23(27)19-5-3-2-4-6-19/h2-10,17,21-22,24H,11-16H2,1H3,(H,25,27)/t21-,22+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide?
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide has a molecular weight of 363.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 70810946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).