(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide

C21H31N3O3 — CID 93328379

IUPAC(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1cccc([C@H]2CC[C@H](C(=O)N3CCOCC3)CN2C(=O)NC(C)C)c1
InChIInChI=1S/C21H31N3O3/c1-15(2)22-21(26)24-14-18(20(25)23-9-11-27-12-10-23)7-8-19(24)17-6-4-5-16(3)13-17/h4-6,13,15,18-19H,7-12,14H2,1-3H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyDAFRDKBGNGDKMB-RBUKOAKNSA-N
MW373.50 g/mol
LogP2.72
Rot. Bonds3

About (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide

(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 93328379) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID93328379
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1cccc([C@H]2CC[C@H](C(=O)N3CCOCC3)CN2C(=O)NC(C)C)c1
InChIInChI=1S/C21H31N3O3/c1-15(2)22-21(26)24-14-18(20(25)23-9-11-27-12-10-23)7-8-19(24)17-6-4-5-16(3)13-17/h4-6,13,15,18-19H,7-12,14H2,1-3H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyDAFRDKBGNGDKMB-RBUKOAKNSA-N
XLogP2.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42849641
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849581
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328301
cyclopentyl-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 42865360
cyclopropyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 71955059
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907
ethyl 1-[1-(butylcarbamoyl)-6-(3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 46041682
N-(2,4-difluorophenyl)-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849549
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[(2R)-1,4-dioxan-2-yl]-[(2R)-2-(3-methylphenyl)azepan-1-yl]methanone
CID 95629661
1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 46166988

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide (CID 93328379) is (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide is Cc1cccc([C@H]2CC[C@H](C(=O)N3CCOCC3)CN2C(=O)NC(C)C)c1.
What is the InChIKey of (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is DAFRDKBGNGDKMB-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(2)22-21(26)24-14-18(20(25)23-9-11-27-12-10-23)7-8-19(24)17-6-4-5-16(3)13-17/h4-6,13,15,18-19H,7-12,14H2,1-3H3,(H,22,26)/t18-,19+/m0/s1.
What are the key properties of (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide?
(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 93328379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).