(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide

C19H26N2O4 — CID 52828959

IUPAC(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@H](C(=O)NO[C@H]3CCCCO3)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-14-7-9-15(10-8-14)19(23)21-11-4-5-16(13-21)18(22)20-25-17-6-2-3-12-24-17/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyAKBKMTYOQJHNAS-SJORKVTESA-N
MW346.43 g/mol
LogP2.42
Rot. Bonds4

About (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide

(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide (PubChem CID 52828959) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
PubChem CID52828959
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@H](C(=O)NO[C@H]3CCCCO3)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-14-7-9-15(10-8-14)19(23)21-11-4-5-16(13-21)18(22)20-25-17-6-2-3-12-24-17/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyAKBKMTYOQJHNAS-SJORKVTESA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94824519
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 119524399
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51071660
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide (CID 52828959) is (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide is Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NO[C@H]3CCCCO3)C2)cc1.
What is the InChIKey of (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide?
The InChIKey is AKBKMTYOQJHNAS-SJORKVTESA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-7-9-15(10-8-14)19(23)21-11-4-5-16(13-21)18(22)20-25-17-6-2-3-12-24-17/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,22)/t16-,17+/m1/s1.
What are the key properties of (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide?
(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide is sourced from PubChem (CID 52828959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).