(2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide

C25H39N3O5 — CID 146233245

IUPAC(2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
SMILESCOc1cc([C@H](C)CN2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCCC2)cc(OC)c1OC
InChIInChI=1S/C25H39N3O5/c1-17(18-14-20(31-2)22(33-4)21(15-18)32-3)16-28-13-9-6-10-19(28)23(29)27-25(24(26)30)11-7-5-8-12-25/h14-15,17,19H,5-13,16H2,1-4H3,(H2,26,30)(H,27,29)/t17-,19+/m1/s1
InChIKeyZQFZOXKWXQVEMU-MJGOQNOKSA-N
MW461.60 g/mol
LogP2.97
Rot. Bonds9

About (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide

(2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide (PubChem CID 146233245) has the molecular formula C25H39N3O5 and a molecular weight of 461.60 g/mol. Its IUPAC name is (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
PubChem CID146233245
Molecular FormulaC25H39N3O5
Molecular Weight461.60 g/mol
Exact Mass461.29
IUPAC Name(2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
SMILESCOc1cc([C@H](C)CN2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCCC2)cc(OC)c1OC
InChIInChI=1S/C25H39N3O5/c1-17(18-14-20(31-2)22(33-4)21(15-18)32-3)16-28-13-9-6-10-19(28)23(29)27-25(24(26)30)11-7-5-8-12-25/h14-15,17,19H,5-13,16H2,1-4H3,(H2,26,30)(H,27,29)/t17-,19+/m1/s1
InChIKeyZQFZOXKWXQVEMU-MJGOQNOKSA-N
XLogP2.97
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(1-carbamoylcyclobutyl)-1-[2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
CID 146216586
N-(4-carbamoyloxan-4-yl)-1-[2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
CID 123736347
(2S)-N-(1-amino-3-methyl-1-oxopentan-2-yl)-1-[2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
CID 146216579
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
CID 140744043
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 22878862
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
CID 146233294
1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
CID 122571672
(2S)-1-[(2S)-2-acetylpiperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)propan-1-one
CID 170673567
5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene
CID 139373079
(2R)-2-[[1-[2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]amino]pentanediamide
CID 144808923
1-[(2-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5018582

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide (CID 146233245) is (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide is COc1cc([C@H](C)CN2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCCC2)cc(OC)c1OC.
What is the InChIKey of (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
The InChIKey is ZQFZOXKWXQVEMU-MJGOQNOKSA-N. The full InChI is InChI=1S/C25H39N3O5/c1-17(18-14-20(31-2)22(33-4)21(15-18)32-3)16-28-13-9-6-10-19(28)23(29)27-25(24(26)30)11-7-5-8-12-25/h14-15,17,19H,5-13,16H2,1-4H3,(H2,26,30)(H,27,29)/t17-,19+/m1/s1.
What are the key properties of (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
(2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-carbamoylcyclohexyl)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 146233245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).