(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide

C20H30N4O3 — CID 120645418

IUPAC(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCN1
InChIInChI=1S/C20H30N4O3/c1-15-14-17(6-7-21-15)20(26)23-18-4-2-16(3-5-18)19(25)22-8-9-24-10-12-27-13-11-24/h2-5,15,17,21H,6-14H2,1H3,(H,22,25)(H,23,26)/t15-,17-/m0/s1
InChIKeySIFIRAADAQWEBR-RDJZCZTQSA-N
MW374.49 g/mol
LogP1.08
Rot. Bonds6

About (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 120645418) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID120645418
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCN1
InChIInChI=1S/C20H30N4O3/c1-15-14-17(6-7-21-15)20(26)23-18-4-2-16(3-5-18)19(25)22-8-9-24-10-12-27-13-11-24/h2-5,15,17,21H,6-14H2,1H3,(H,22,25)(H,23,26)/t15-,17-/m0/s1
InChIKeySIFIRAADAQWEBR-RDJZCZTQSA-N
XLogP1.08
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120633725
4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865091
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
(2S,5R)-5-(aminomethyl)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120799120
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-4-[(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclopropyl]benzamide
CID 174090422
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 120645418) is (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SIFIRAADAQWEBR-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15-14-17(6-7-21-15)20(26)23-18-4-2-16(3-5-18)19(25)22-8-9-24-10-12-27-13-11-24/h2-5,15,17,21H,6-14H2,1H3,(H,22,25)(H,23,26)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120645418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).