N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide

C26H34N2O — CID 100688576

IUPACN-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCC1CCN(c2ccc([C@H](C)NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1
InChIInChI=1S/C26H34N2O/c1-20-14-18-28(19-15-20)24-12-10-22(11-13-24)21(2)27-25(29)26(16-6-7-17-26)23-8-4-3-5-9-23/h3-5,8-13,20-21H,6-7,14-19H2,1-2H3,(H,27,29)/t21-/m0/s1
InChIKeyZPDHBPGSZIEKBE-NRFANRHFSA-N
MW390.57 g/mol
LogP5.61
Rot. Bonds5

About N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide

N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 100688576) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID100688576
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC NameN-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCC1CCN(c2ccc([C@H](C)NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1
InChIInChI=1S/C26H34N2O/c1-20-14-18-28(19-15-20)24-12-10-22(11-13-24)21(2)27-25(29)26(16-6-7-17-26)23-8-4-3-5-9-23/h3-5,8-13,20-21H,6-7,14-19H2,1-2H3,(H,27,29)/t21-/m0/s1
InChIKeyZPDHBPGSZIEKBE-NRFANRHFSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 48664321
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
CID 132655322
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide (CID 100688576) is N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide is CC1CCN(c2ccc([C@H](C)NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1.
What is the InChIKey of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is ZPDHBPGSZIEKBE-NRFANRHFSA-N. The full InChI is InChI=1S/C26H34N2O/c1-20-14-18-28(19-15-20)24-12-10-22(11-13-24)21(2)27-25(29)26(16-6-7-17-26)23-8-4-3-5-9-23/h3-5,8-13,20-21H,6-7,14-19H2,1-2H3,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide?
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 390.57 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100688576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).