(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide

C23H28ClN3O3 — CID 25493999

IUPAC(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H28ClN3O3/c1-15-12-20(21(30-3)13-19(15)24)26-22(28)16(2)27-11-7-8-17(14-27)23(29)25-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17H,7-8,11,14H2,1-3H3,(H,25,29)(H,26,28)/t16-,17+/m0/s1
InChIKeyRGEOHYIPFAAHOM-DLBZAZTESA-N
MW429.95 g/mol
LogP4.33
Rot. Bonds6

About (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (PubChem CID 25493999) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
PubChem CID25493999
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H28ClN3O3/c1-15-12-20(21(30-3)13-19(15)24)26-22(28)16(2)27-11-7-8-17(14-27)23(29)25-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17H,7-8,11,14H2,1-3H3,(H,25,29)(H,26,28)/t16-,17+/m0/s1
InChIKeyRGEOHYIPFAAHOM-DLBZAZTESA-N
XLogP4.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-ethylpiperidine-3-carboxamide
CID 48937654
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119919351
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 120762021
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 17397855
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
(3S)-1-[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51927758
(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51927756
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51672985
ethyl 1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 26005998
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (CID 25493999) is (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is RGEOHYIPFAAHOM-DLBZAZTESA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-15-12-20(21(30-3)13-19(15)24)26-22(28)16(2)27-11-7-8-17(14-27)23(29)25-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17H,7-8,11,14H2,1-3H3,(H,25,29)(H,26,28)/t16-,17+/m0/s1.
What are the key properties of (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 25493999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).