N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide

C22H26ClN3O3 — CID 55830115

IUPACN-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c1
InChIInChI=1S/C22H26ClN3O3/c1-3-21(27)24-19-6-4-5-16(14-19)22(28)26-11-9-25(10-12-26)15-17-13-18(23)7-8-20(17)29-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,27)
InChIKeyITIQDMOALDWHSW-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.66
Rot. Bonds6

About N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide

N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide (PubChem CID 55830115) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
PubChem CID55830115
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c1
InChIInChI=1S/C22H26ClN3O3/c1-3-21(27)24-19-6-4-5-16(14-19)22(28)26-11-9-25(10-12-26)15-17-13-18(23)7-8-20(17)29-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,27)
InChIKeyITIQDMOALDWHSW-UHFFFAOYSA-N
XLogP3.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 17148903
(3-chlorophenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 2927115
N-[3-[4-[(4-chloro-2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166412269
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 55588565
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55588569
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 55609464
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121
N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17468033
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
N-[3-[4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]-2-naphthalen-2-ylacetamide
CID 72723897

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide (CID 55830115) is N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c1.
What is the InChIKey of N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
The InChIKey is ITIQDMOALDWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-3-21(27)24-19-6-4-5-16(14-19)22(28)26-11-9-25(10-12-26)15-17-13-18(23)7-8-20(17)29-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide has a molecular weight of 415.92 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 55830115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).