(4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid

C25H26N2O3 — CID 124604342

IUPAC(4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid
SMILESO=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H26N2O3/c28-24(29)14-13-23(20-8-2-1-3-9-20)26-15-17-27(18-16-26)25(30)22-12-6-10-19-7-4-5-11-21(19)22/h1-12,23H,13-18H2,(H,28,29)/t23-/m1/s1
InChIKeyBMOKBVDHEAKIEA-HSZRJFAPSA-N
MW402.49 g/mol
LogP4.20
Rot. Bonds6

About (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid

(4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid (PubChem CID 124604342) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid
PubChem CID124604342
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid
SMILESO=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H26N2O3/c28-24(29)14-13-23(20-8-2-1-3-9-20)26-15-17-27(18-16-26)25(30)22-12-6-10-19-7-4-5-11-21(19)22/h1-12,23H,13-18H2,(H,28,29)/t23-/m1/s1
InChIKeyBMOKBVDHEAKIEA-HSZRJFAPSA-N
XLogP4.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
CID 108569239
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
CID 108536410
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid?
The IUPAC name of (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid (CID 124604342) is (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid.
What is the SMILES notation for (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid?
The canonical SMILES for (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid is O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid?
The InChIKey is BMOKBVDHEAKIEA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-24(29)14-13-23(20-8-2-1-3-9-20)26-15-17-27(18-16-26)25(30)22-12-6-10-19-7-4-5-11-21(19)22/h1-12,23H,13-18H2,(H,28,29)/t23-/m1/s1.
What are the key properties of (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid?
(4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid has a molecular weight of 402.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-phenylbutanoic acid is sourced from PubChem (CID 124604342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).