N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

C21H33N5O2 — CID 119045554

IUPACN-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1=O
InChIInChI=1S/C21H33N5O2/c1-3-9-25-10-6-11-26(17-20(25)27)21(28)22-18-7-5-8-19(16-18)24-14-12-23(4-2)13-15-24/h5,7-8,16H,3-4,6,9-15,17H2,1-2H3,(H,22,28)
InChIKeyFYCOLDNRNHRAPY-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.30
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (PubChem CID 119045554) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
PubChem CID119045554
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1=O
InChIInChI=1S/C21H33N5O2/c1-3-9-25-10-6-11-26(17-20(25)27)21(28)22-18-7-5-8-19(16-18)24-14-12-23(4-2)13-15-24/h5,7-8,16H,3-4,6,9-15,17H2,1-2H3,(H,22,28)
InChIKeyFYCOLDNRNHRAPY-UHFFFAOYSA-N
XLogP2.30
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-4-propyl-N-(3-pyrrolidin-1-ylphenyl)-1,4-diazepane-1-carboxamide
CID 119045535
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 136532249
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 155955616
4-[(3-oxo-4-propyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022698
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
CID 142930531
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (CID 119045554) is N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is CCCN1CCCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1=O.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is FYCOLDNRNHRAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-3-9-25-10-6-11-26(17-20(25)27)21(28)22-18-7-5-8-19(16-18)24-14-12-23(4-2)13-15-24/h5,7-8,16H,3-4,6,9-15,17H2,1-2H3,(H,22,28).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 119045554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).