N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide

C19H29ClN4O2 — CID 42389873

IUPACN'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-19(2,3)22-18(26)17(25)21-9-4-10-23-11-13-24(14-12-23)16-7-5-15(20)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVKEAIQWKXFPRMM-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.88
Rot. Bonds5

About N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide

N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide (PubChem CID 42389873) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
PubChem CID42389873
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC NameN'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-19(2,3)22-18(26)17(25)21-9-4-10-23-11-13-24(14-12-23)16-7-5-15(20)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVKEAIQWKXFPRMM-UHFFFAOYSA-N
XLogP1.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
CID 42389794
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 42389811
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide (CID 42389873) is N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide is CC(C)(C)NC(=O)C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
The InChIKey is VKEAIQWKXFPRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-19(2,3)22-18(26)17(25)21-9-4-10-23-11-13-24(14-12-23)16-7-5-15(20)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide has a molecular weight of 380.92 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide is sourced from PubChem (CID 42389873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).