(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide

C19H29N3O2 — CID 120633562

IUPAC(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CN(c2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)CC(C)O1
InChIInChI=1S/C19H29N3O2/c1-13-10-16(8-9-20-13)19(23)21-17-6-4-5-7-18(17)22-11-14(2)24-15(3)12-22/h4-7,13-16,20H,8-12H2,1-3H3,(H,21,23)/t13-,14?,15?,16-/m0/s1
InChIKeyRLKCGOCMHIFEPQ-LBDPXKHJSA-N
MW331.46 g/mol
LogP2.63
Rot. Bonds3

About (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120633562) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120633562
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CN(c2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)CC(C)O1
InChIInChI=1S/C19H29N3O2/c1-13-10-16(8-9-20-13)19(23)21-17-6-4-5-7-18(17)22-11-14(2)24-15(3)12-22/h4-7,13-16,20H,8-12H2,1-3H3,(H,21,23)/t13-,14?,15?,16-/m0/s1
InChIKeyRLKCGOCMHIFEPQ-LBDPXKHJSA-N
XLogP2.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide (CID 120633562) is (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide is CC1CN(c2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)CC(C)O1.
What is the InChIKey of (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is RLKCGOCMHIFEPQ-LBDPXKHJSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13-10-16(8-9-20-13)19(23)21-17-6-4-5-7-18(17)22-11-14(2)24-15(3)12-22/h4-7,13-16,20H,8-12H2,1-3H3,(H,21,23)/t13-,14?,15?,16-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120633562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).