N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide

C25H34N4O2 — CID 174294510

IUPACN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide
SMILESCOc1cccc(N2CCN(CCN(C(=O)C3CCCCC3)c3ccncc3)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-31-24-9-5-8-23(20-24)28-17-14-27(15-18-28)16-19-29(22-10-12-26-13-11-22)25(30)21-6-3-2-4-7-21/h5,8-13,20-21H,2-4,6-7,14-19H2,1H3
InChIKeySKDFXBRMZOUACL-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.83
Rot. Bonds7

About N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide

N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide (PubChem CID 174294510) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide
PubChem CID174294510
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide
SMILESCOc1cccc(N2CCN(CCN(C(=O)C3CCCCC3)c3ccncc3)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-31-24-9-5-8-23(20-24)28-17-14-27(15-18-28)16-19-29(22-10-12-26-13-11-22)25(30)21-6-3-2-4-7-21/h5,8-13,20-21H,2-4,6-7,14-19H2,1H3
InChIKeySKDFXBRMZOUACL-UHFFFAOYSA-N
XLogP3.83
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide
CID 22458093
1-(3-methoxyphenyl)azepane
CID 57276431
N-(6-iodo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 10325198
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 18583240
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide (CID 174294510) is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide is COc1cccc(N2CCN(CCN(C(=O)C3CCCCC3)c3ccncc3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide?
The InChIKey is SKDFXBRMZOUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-31-24-9-5-8-23(20-24)28-17-14-27(15-18-28)16-19-29(22-10-12-26-13-11-22)25(30)21-6-3-2-4-7-21/h5,8-13,20-21H,2-4,6-7,14-19H2,1H3.
What are the key properties of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide?
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-4-ylcyclohexanecarboxamide is sourced from PubChem (CID 174294510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).