(3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C22H29N3O — CID 119834669

IUPAC(3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)C1
InChIInChI=1S/C22H29N3O/c23-20-9-4-7-18(15-20)22(26)25-13-11-24(12-14-25)16-19-8-3-6-17-5-1-2-10-21(17)19/h1-3,5-6,8,10,18,20H,4,7,9,11-16,23H2
InChIKeyCJCXXXPRTXCALA-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.00
Rot. Bonds3

About (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

(3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 119834669) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID119834669
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)C1
InChIInChI=1S/C22H29N3O/c23-20-9-4-7-18(15-20)22(26)25-13-11-24(12-14-25)16-19-8-3-6-17-5-1-2-10-21(17)19/h1-3,5-6,8,10,18,20H,4,7,9,11-16,23H2
InChIKeyCJCXXXPRTXCALA-UHFFFAOYSA-N
XLogP3.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
cyclobutyl-[4-(isoquinolin-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56707165
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
(1-benzylsulfonylpiperidin-4-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 55686553
(3-aminocyclohexyl)-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119843700
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
(3-aminocyclohexyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119896247
(3-aminocyclohexyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 91660417
(3-aminocyclohexyl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839983

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 119834669) is (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is NC1CCCC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is CJCXXXPRTXCALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c23-20-9-4-7-18(15-20)22(26)25-13-11-24(12-14-25)16-19-8-3-6-17-5-1-2-10-21(17)19/h1-3,5-6,8,10,18,20H,4,7,9,11-16,23H2.
What are the key properties of (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
(3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 351.49 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119834669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).