N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide

C24H27N3O2 — CID 54236554

IUPACN-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H](Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C24H27N3O2/c1-16-10-17(2)12-21(11-16)24(29)27-9-8-22(26-18(3)28)14-23(27)13-19-4-6-20(15-25)7-5-19/h4-7,10-12,22-23H,8-9,13-14H2,1-3H3,(H,26,28)/t22-,23+/m0/s1
InChIKeyQMZFARYFLOFPGY-XZOQPEGZSA-N
MW389.50 g/mol
LogP3.53
Rot. Bonds4

About N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide

N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 54236554) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide
PubChem CID54236554
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H](Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C24H27N3O2/c1-16-10-17(2)12-21(11-16)24(29)27-9-8-22(26-18(3)28)14-23(27)13-19-4-6-20(15-25)7-5-19/h4-7,10-12,22-23H,8-9,13-14H2,1-3H3,(H,26,28)/t22-,23+/m0/s1
InChIKeyQMZFARYFLOFPGY-XZOQPEGZSA-N
XLogP3.53
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4S)-1-(3,5-dimethylbenzoyl)-2-[(4-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 54489859
N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 54003797
[(2R,4S)-2-benzyl-4-[2-[4-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57031360
[(2S,4R)-2-benzyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57019367
[(2R,4S)-2-benzyl-4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57185217
[(2S,4S)-2-benzyl-4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57261989
2-amino-N-[1-[(2S,4S)-2-benzyl-1-(3,5-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]benzamide
CID 86756202
[(2R,4S)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57011750
[(2S,4S)-4-(4-aminopiperidin-1-yl)-2-benzylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 86756203
[(2R,4S)-2-benzyl-4-[2-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57167688
[(2S,4S)-2-benzyl-4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57065829
[(2S,4S)-2-benzyl-4-[3-[3-(trifluoromethyl)phenyl]propylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57161044

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide (CID 54236554) is N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H](Cc2ccc(C#N)cc2)C1.
What is the InChIKey of N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is QMZFARYFLOFPGY-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-10-17(2)12-21(11-16)24(29)27-9-8-22(26-18(3)28)14-23(27)13-19-4-6-20(15-25)7-5-19/h4-7,10-12,22-23H,8-9,13-14H2,1-3H3,(H,26,28)/t22-,23+/m0/s1.
What are the key properties of N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide?
N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54236554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).