trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide

C22H27N3O — CID 95325918

IUPACtrans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-25-13-11-17(12-14-25)23-20-9-5-6-10-21(20)24-22(26)19-15-18(19)16-7-3-2-4-8-16/h2-10,17-19,23H,11-15H2,1H3,(H,24,26)/t18-,19+/m1/s1
InChIKeyBEXYYPXKGPNOHW-MOPGFXCFSA-N
MW349.48 g/mol
LogP3.93
Rot. Bonds5

About trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 95325918) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID95325918
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Nametrans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-25-13-11-17(12-14-25)23-20-9-5-6-10-21(20)24-22(26)19-15-18(19)16-7-3-2-4-8-16/h2-10,17-19,23H,11-15H2,1H3,(H,24,26)/t18-,19+/m1/s1
InChIKeyBEXYYPXKGPNOHW-MOPGFXCFSA-N
XLogP3.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid
CID 19406229
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 119871528
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
CID 120503561
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
CID 86842455

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide (CID 95325918) is trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide is CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BEXYYPXKGPNOHW-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H27N3O/c1-25-13-11-17(12-14-25)23-20-9-5-6-10-21(20)24-22(26)19-15-18(19)16-7-3-2-4-8-16/h2-10,17-19,23H,11-15H2,1H3,(H,24,26)/t18-,19+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95325918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).