1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

C24H30N4O3 — CID 42059906

IUPAC1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)N(C)C)c1
InChIInChI=1S/C24H30N4O3/c1-27(2)21(18-7-6-8-19(15-18)30-3)16-25-23(29)17-11-13-28(14-12-17)24-26-20-9-4-5-10-22(20)31-24/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,25,29)/t21-/m1/s1
InChIKeyIYUPQYXJZBLZHI-OAQYLSRUSA-N
MW422.53 g/mol
LogP3.47
Rot. Bonds7

About 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 42059906) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID42059906
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)N(C)C)c1
InChIInChI=1S/C24H30N4O3/c1-27(2)21(18-7-6-8-19(15-18)30-3)16-25-23(29)17-11-13-28(14-12-17)24-26-20-9-4-5-10-22(20)31-24/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,25,29)/t21-/m1/s1
InChIKeyIYUPQYXJZBLZHI-OAQYLSRUSA-N
XLogP3.47
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 17482911
1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
CID 24654958
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823
1-(1,3-benzoxazol-2-yl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 24607473
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
methyl 2-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
CID 26324181
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 26021668
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 42059906) is 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1cccc([C@@H](CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)N(C)C)c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is IYUPQYXJZBLZHI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-27(2)21(18-7-6-8-19(15-18)30-3)16-25-23(29)17-11-13-28(14-12-17)24-26-20-9-4-5-10-22(20)31-24/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,25,29)/t21-/m1/s1.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42059906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).