(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C21H25N3O3 — CID 7435320

IUPAC(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-12-10-18(11-13-19)22-20(25)16-7-6-14-24(15-16)21(26)23-17-8-4-3-5-9-17/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyRHLPQEJKKMNHRL-INIZCTEOSA-N
MW367.45 g/mol
LogP3.97
Rot. Bonds5

About (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 7435320) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID7435320
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-12-10-18(11-13-19)22-20(25)16-7-6-14-24(15-16)21(26)23-17-8-4-3-5-9-17/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyRHLPQEJKKMNHRL-INIZCTEOSA-N
XLogP3.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 7435320) is (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is RHLPQEJKKMNHRL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-19-12-10-18(11-13-19)22-20(25)16-7-6-14-24(15-16)21(26)23-17-8-4-3-5-9-17/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1.
What are the key properties of (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 7435320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).