N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

C24H27N3O2 — CID 42266865

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)
InChIKeyVUQFQRNHGGYQGK-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.40
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 42266865) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID42266865
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)
InChIKeyVUQFQRNHGGYQGK-UHFFFAOYSA-N
XLogP3.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (CID 42266865) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is VUQFQRNHGGYQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42266865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).