N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide

C19H29N3O3 — CID 17174343

IUPACN-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-24-17-7-8-18(25-2)15(13-17)14-21-9-11-22(12-10-21)19(23)20-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,20,23)
InChIKeyHJFQDLRWNAOGIA-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.47
Rot. Bonds5

About N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide

N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 17174343) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID17174343
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-24-17-7-8-18(25-2)15(13-17)14-21-9-11-22(12-10-21)19(23)20-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,20,23)
InChIKeyHJFQDLRWNAOGIA-UHFFFAOYSA-N
XLogP2.47
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110812906
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 17148609
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 119829620
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide (CID 17174343) is N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(OC)c(CN2CCN(C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is HJFQDLRWNAOGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-17-7-8-18(25-2)15(13-17)14-21-9-11-22(12-10-21)19(23)20-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17174343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).