N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C19H32N4O2 — CID 113106309

IUPACN-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C19H32N4O2/c1-16(2)25-18-9-6-5-8-17(18)22-12-14-23(15-13-22)19(24)20-10-7-11-21(3)4/h5-6,8-9,16H,7,10-15H2,1-4H3,(H,20,24)
InChIKeyYZTDMJHJUSLXBG-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.26
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113106309) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113106309
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C19H32N4O2/c1-16(2)25-18-9-6-5-8-17(18)22-12-14-23(15-13-22)19(24)20-10-7-11-21(3)4/h5-6,8-9,16H,7,10-15H2,1-4H3,(H,20,24)
InChIKeyYZTDMJHJUSLXBG-UHFFFAOYSA-N
XLogP2.26
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108282
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 18129546
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113106309) is N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1N1CCN(C(=O)NCCCN(C)C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is YZTDMJHJUSLXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-16(2)25-18-9-6-5-8-17(18)22-12-14-23(15-13-22)19(24)20-10-7-11-21(3)4/h5-6,8-9,16H,7,10-15H2,1-4H3,(H,20,24).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).