N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C16H25N3O — CID 138530380

IUPACN,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13(2)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(20)17(3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyNAFQQSHHVHCIDN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds2

About N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide

N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 138530380) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID138530380
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13(2)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(20)17(3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyNAFQQSHHVHCIDN-UHFFFAOYSA-N
XLogP2.61
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 161246140
N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110405
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
1-[4-[4-(1-sulfanylethyl)phenyl]piperazin-1-yl]ethanone
CID 163789596
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 177267388
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113125862

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 138530380) is N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(N2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is NAFQQSHHVHCIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(20)17(3)4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 138530380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).