3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride

C21H26ClN3O3 — CID 119949990

IUPAC3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CC(N)c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-18-9-5-8-17(14-18)21(26)24-12-10-23(11-13-24)20(25)15-19(22)16-6-3-2-4-7-16;/h2-9,14,19H,10-13,15,22H2,1H3;1H
InChIKeyDVZZXIXKWTVAAC-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.49
Rot. Bonds5

About 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride

3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119949990) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119949990
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CC(N)c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-18-9-5-8-17(14-18)21(26)24-12-10-23(11-13-24)20(25)15-19(22)16-6-3-2-4-7-16;/h2-9,14,19H,10-13,15,22H2,1H3;1H
InChIKeyDVZZXIXKWTVAAC-UHFFFAOYSA-N
XLogP2.49
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949482
3-amino-1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949487
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92768612
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92769784
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-amino-1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119950536
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 119949990) is 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride is COc1cccc(C(=O)N2CCN(C(=O)CC(N)c3ccccc3)CC2)c1.Cl.
What is the InChIKey of 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is DVZZXIXKWTVAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-27-18-9-5-8-17(14-18)21(26)24-12-10-23(11-13-24)20(25)15-19(22)16-6-3-2-4-7-16;/h2-9,14,19H,10-13,15,22H2,1H3;1H.
What are the key properties of 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119949990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).