N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide

C29H39FN2O2 — CID 10276729

IUPACN-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C29H39FN2O2/c1-4-34-27-8-6-5-7-24(27)20-31-28(33)29(21(2)3)16-13-26(19-29)32-17-14-23(15-18-32)22-9-11-25(30)12-10-22/h5-12,21,23,26H,4,13-20H2,1-3H3,(H,31,33)
InChIKeyLBHKGQDOXPZLRH-UHFFFAOYSA-N
MW466.64 g/mol
LogP5.92
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide

N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 10276729) has the molecular formula C29H39FN2O2 and a molecular weight of 466.64 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID10276729
Molecular FormulaC29H39FN2O2
Molecular Weight466.64 g/mol
Exact Mass466.30
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C29H39FN2O2/c1-4-34-27-8-6-5-7-24(27)20-31-28(33)29(21(2)3)16-13-26(19-29)32-17-14-23(15-18-32)22-9-11-25(30)12-10-22/h5-12,21,23,26H,4,13-20H2,1-3H3,(H,31,33)
InChIKeyLBHKGQDOXPZLRH-UHFFFAOYSA-N
XLogP5.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.64
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11383468
US11440884, Example 32
CID 137520903
N-(2-fluorobenzyl)-3-{1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanamide
CID 16188753
N-(3,4-difluorobenzyl)-3-{1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanamide
CID 16192125
N-{[1-(2-ethoxybenzyl)-3-piperidinyl]methyl}-2-(4-methoxyphenyl)acetamide
CID 23723842
N-(5-fluoro-2-methylbenzyl)-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790094
1-(3-fluorobenzyl)-N-[2-(2-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790642
N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide
CID 24792126
N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 24792149
N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(4-(3-methoxyphenyl)piperidin-1-yl)cyclopentanecarboxamide
CID 44447782
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(chroman-4-ylamino)-1-isopropylcyclopentanecarboxamide
CID 44573569
(1-((1R,4R)-4-((R)-1-(2-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4-phenylpiperidin-4-yl)(pyrrolidin-1-yl)methanone
CID 45270156

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide (CID 10276729) is N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide is CCOc1ccccc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is LBHKGQDOXPZLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN2O2/c1-4-34-27-8-6-5-7-24(27)20-31-28(33)29(21(2)3)16-13-26(19-29)32-17-14-23(15-18-32)22-9-11-25(30)12-10-22/h5-12,21,23,26H,4,13-20H2,1-3H3,(H,31,33).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 466.64 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10276729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).