N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide

C22H34N2O3 — CID 1343432

IUPACN-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)c(OC)c1
InChIInChI=1S/C22H34N2O3/c1-26-20-10-9-18(21(15-20)27-2)16-24-13-11-17(12-14-24)22(25)23-19-7-5-3-4-6-8-19/h9-10,15,17,19H,3-8,11-14,16H2,1-2H3,(H,23,25)
InChIKeySQXRPGNLQBGOHA-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.75
Rot. Bonds6

About N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide

N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1343432) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID1343432
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)c(OC)c1
InChIInChI=1S/C22H34N2O3/c1-26-20-10-9-18(21(15-20)27-2)16-24-13-11-17(12-14-24)22(25)23-19-7-5-3-4-6-8-19/h9-10,15,17,19H,3-8,11-14,16H2,1-2H3,(H,23,25)
InChIKeySQXRPGNLQBGOHA-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-cyclopentyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113003005
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
CID 46963470
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 1343432) is N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)c(OC)c1.
What is the InChIKey of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SQXRPGNLQBGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-26-20-10-9-18(21(15-20)27-2)16-24-13-11-17(12-14-24)22(25)23-19-7-5-3-4-6-8-19/h9-10,15,17,19H,3-8,11-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1343432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).