4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

C20H34N4O — CID 113106291

IUPAC4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C20H34N4O/c1-20(2,3)17-9-6-7-10-18(17)23-13-15-24(16-14-23)19(25)21-11-8-12-22(4)5/h6-7,9-10H,8,11-16H2,1-5H3,(H,21,25)
InChIKeyMFINJLSKTZNNPR-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.77
Rot. Bonds5

About 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (PubChem CID 113106291) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
PubChem CID113106291
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C20H34N4O/c1-20(2,3)17-9-6-7-10-18(17)23-13-15-24(16-14-23)19(25)21-11-8-12-22(4)5/h6-7,9-10H,8,11-16H2,1-5H3,(H,21,25)
InChIKeyMFINJLSKTZNNPR-UHFFFAOYSA-N
XLogP2.77
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
CID 113103888
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
CID 46931248
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113106335
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106359
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106366
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (CID 113106291) is 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is CN(C)CCCNC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The InChIKey is MFINJLSKTZNNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-20(2,3)17-9-6-7-10-18(17)23-13-15-24(16-14-23)19(25)21-11-8-12-22(4)5/h6-7,9-10H,8,11-16H2,1-5H3,(H,21,25).
What are the key properties of 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).