4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide

C26H35N3O2 — CID 166141588

IUPAC4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccccc3[C@@H]3CN[C@@H](C(C)C)CO3)CC2)cc1
InChIInChI=1S/C26H35N3O2/c1-18(2)24-17-31-25(16-27-24)22-6-4-5-7-23(22)28-26(30)29-14-12-21(13-15-29)20-10-8-19(3)9-11-20/h4-11,18,21,24-25,27H,12-17H2,1-3H3,(H,28,30)/t24-,25+/m1/s1
InChIKeyDNXFTYREDSWSJX-RPBOFIJWSA-N
MW421.59 g/mol
LogP5.09
Rot. Bonds4

About 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide

4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide (PubChem CID 166141588) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide
PubChem CID166141588
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccccc3[C@@H]3CN[C@@H](C(C)C)CO3)CC2)cc1
InChIInChI=1S/C26H35N3O2/c1-18(2)24-17-31-25(16-27-24)22-6-4-5-7-23(22)28-26(30)29-14-12-21(13-15-29)20-10-8-19(3)9-11-20/h4-11,18,21,24-25,27H,12-17H2,1-3H3,(H,28,30)/t24-,25+/m1/s1
InChIKeyDNXFTYREDSWSJX-RPBOFIJWSA-N
XLogP5.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide (CID 166141588) is 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide is Cc1ccc(C2CCN(C(=O)Nc3ccccc3[C@@H]3CN[C@@H](C(C)C)CO3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide?
The InChIKey is DNXFTYREDSWSJX-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-18(2)24-17-31-25(16-27-24)22-6-4-5-7-23(22)28-26(30)29-14-12-21(13-15-29)20-10-8-19(3)9-11-20/h4-11,18,21,24-25,27H,12-17H2,1-3H3,(H,28,30)/t24-,25+/m1/s1.
What are the key properties of 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide?
4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166141588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).