(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide

C23H28ClN3O2 — CID 1066481

IUPAC(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)[C@H](Cl)c3ccccc3)ccc2N(C)C)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-11-13-27(14-12-16)23(29)19-15-18(9-10-20(19)26(2)3)25-22(28)21(24)17-7-5-4-6-8-17/h4-10,15-16,21H,11-14H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyVHJTXLLDCNJDKE-OAQYLSRUSA-N
MW413.95 g/mol
LogP4.54
Rot. Bonds5

About (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide

(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide (PubChem CID 1066481) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
PubChem CID1066481
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)[C@H](Cl)c3ccccc3)ccc2N(C)C)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-11-13-27(14-12-16)23(29)19-15-18(9-10-20(19)26(2)3)25-22(28)21(24)17-7-5-4-6-8-17/h4-10,15-16,21H,11-14H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyVHJTXLLDCNJDKE-OAQYLSRUSA-N
XLogP4.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
CID 5204789
5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 5158041
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1066480
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 3900992
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
2,2-dichloro-N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054041
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2,2-diphenylacetamide
CID 4939344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide (CID 1066481) is (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide is CC1CCN(C(=O)c2cc(NC(=O)[C@H](Cl)c3ccccc3)ccc2N(C)C)CC1.
What is the InChIKey of (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The InChIKey is VHJTXLLDCNJDKE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-16-11-13-27(14-12-16)23(29)19-15-18(9-10-20(19)26(2)3)25-22(28)21(24)17-7-5-4-6-8-17/h4-10,15-16,21H,11-14H2,1-3H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide has a molecular weight of 413.95 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 1066481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).