N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

C25H29N3O2 — CID 127024958

IUPACN-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N3O2/c29-24-10-4-3-9-23(24)28-17-15-27(16-18-28)14-6-5-13-26-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19,29H,5-6,13-18H2,(H,26,30)
InChIKeyUGRYVQVSCSWCQH-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.88
Rot. Bonds7

About N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (PubChem CID 127024958) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
PubChem CID127024958
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N3O2/c29-24-10-4-3-9-23(24)28-17-15-27(16-18-28)14-6-5-13-26-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19,29H,5-6,13-18H2,(H,26,30)
InChIKeyUGRYVQVSCSWCQH-UHFFFAOYSA-N
XLogP3.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (CID 127024958) is N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is O=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The InChIKey is UGRYVQVSCSWCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-24-10-4-3-9-23(24)28-17-15-27(16-18-28)14-6-5-13-26-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19,29H,5-6,13-18H2,(H,26,30).
What are the key properties of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 127024958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).