N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide

C24H33N5O4 — CID 3970845

IUPACN-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)CC1
InChIInChI=1S/C24H33N5O4/c1-4-5-10-25-24(31)29-13-11-28(12-14-29)20-8-6-18(7-9-20)26-23(30)27-19-15-21(32-2)17-22(16-19)33-3/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,25,31)(H2,26,27,30)
InChIKeyKOLNKEAKAUXVNC-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.98
Rot. Bonds8

About N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide

N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide (PubChem CID 3970845) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
PubChem CID3970845
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)CC1
InChIInChI=1S/C24H33N5O4/c1-4-5-10-25-24(31)29-13-11-28(12-14-29)20-8-6-18(7-9-20)26-23(30)27-19-15-21(32-2)17-22(16-19)33-3/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,25,31)(H2,26,27,30)
InChIKeyKOLNKEAKAUXVNC-UHFFFAOYSA-N
XLogP3.98
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4310467
4-[4-[(3-bromophenyl)carbamoylamino]phenyl]-N-butylpiperazine-1-carboxamide
CID 42767278
N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4043726
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110884
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-(3,5-difluoro-2-pyridinyl)-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 90757091
1-butyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 3295410
1-(2,4-dimethoxyphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea
CID 3537073
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide (CID 3970845) is N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)CC1.
What is the InChIKey of N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
The InChIKey is KOLNKEAKAUXVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-4-5-10-25-24(31)29-13-11-28(12-14-29)20-8-6-18(7-9-20)26-23(30)27-19-15-21(32-2)17-22(16-19)33-3/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,25,31)(H2,26,27,30).
What are the key properties of N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 3970845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).