naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone

C26H29N3O — CID 10573019

IUPACnaphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C26H29N3O/c30-26(23-9-8-21-6-2-3-7-22(21)20-23)29-18-16-28(17-19-29)25-12-10-24(11-13-25)27-14-4-1-5-15-27/h2-3,6-13,20H,1,4-5,14-19H2
InChIKeyOJKGPYRMOKICQN-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.79
Rot. Bonds3

About naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone

naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone (PubChem CID 10573019) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
PubChem CID10573019
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Namenaphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C26H29N3O/c30-26(23-9-8-21-6-2-3-7-22(21)20-23)29-18-16-28(17-19-29)25-12-10-24(11-13-25)27-14-4-1-5-15-27/h2-3,6-13,20H,1,4-5,14-19H2
InChIKeyOJKGPYRMOKICQN-UHFFFAOYSA-N
XLogP4.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
2-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399310
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 30102573
4-bromo-N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 42767148
1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056881
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone (CID 10573019) is naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone is O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is OJKGPYRMOKICQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-26(23-9-8-21-6-2-3-7-22(21)20-23)29-18-16-28(17-19-29)25-12-10-24(11-13-25)27-14-4-1-5-15-27/h2-3,6-13,20H,1,4-5,14-19H2.
What are the key properties of naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone?
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 399.54 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 10573019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).