N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide

C17H24N4O5 — CID 35155323

IUPACN-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CCC(=O)NC(N)=O)CC2)c1
InChIInChI=1S/C17H24N4O5/c1-25-13-9-12(10-14(11-13)26-2)16(23)21-7-5-20(6-8-21)4-3-15(22)19-17(18)24/h9-11H,3-8H2,1-2H3,(H3,18,19,22,24)
InChIKeySMAVDVJGMZNKRZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.05
Rot. Bonds6

About N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide

N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide (PubChem CID 35155323) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide
PubChem CID35155323
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CCC(=O)NC(N)=O)CC2)c1
InChIInChI=1S/C17H24N4O5/c1-25-13-9-12(10-14(11-13)26-2)16(23)21-7-5-20(6-8-21)4-3-15(22)19-17(18)24/h9-11H,3-8H2,1-2H3,(H3,18,19,22,24)
InChIKeySMAVDVJGMZNKRZ-UHFFFAOYSA-N
XLogP0.05
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395723
(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 122135627
N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091691
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800
1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180457

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide (CID 35155323) is N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide is COc1cc(OC)cc(C(=O)N2CCN(CCC(=O)NC(N)=O)CC2)c1.
What is the InChIKey of N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide?
The InChIKey is SMAVDVJGMZNKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-25-13-9-12(10-14(11-13)26-2)16(23)21-7-5-20(6-8-21)4-3-15(22)19-17(18)24/h9-11H,3-8H2,1-2H3,(H3,18,19,22,24).
What are the key properties of N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide?
N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide has a molecular weight of 364.40 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 35155323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).