3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide

C22H37N5O — CID 167961771

IUPAC3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CC(C)(C)NC(C)(C)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H37N5O/c1-18(25-11-13-26(14-12-25)19-9-7-6-8-10-19)15-23-20(28)27-16-21(2,3)24-22(4,5)17-27/h6-10,18,24H,11-17H2,1-5H3,(H,23,28)
InChIKeyXLAKEJQPGNGSRR-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.37
Rot. Bonds4

About 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide

3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide (PubChem CID 167961771) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
PubChem CID167961771
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC Name3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CC(C)(C)NC(C)(C)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H37N5O/c1-18(25-11-13-26(14-12-25)19-9-7-6-8-10-19)15-23-20(28)27-16-21(2,3)24-22(4,5)17-27/h6-10,18,24H,11-17H2,1-5H3,(H,23,28)
InChIKeyXLAKEJQPGNGSRR-UHFFFAOYSA-N
XLogP2.37
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047756
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 86989887
1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
CID 55695142
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119902120
4-bromo-N-[2-(4-phenylpiperazin-1-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564755
4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 119902086

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide (CID 167961771) is 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide is CC(CNC(=O)N1CC(C)(C)NC(C)(C)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The InChIKey is XLAKEJQPGNGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-18(25-11-13-26(14-12-25)19-9-7-6-8-10-19)15-23-20(28)27-16-21(2,3)24-22(4,5)17-27/h6-10,18,24H,11-17H2,1-5H3,(H,23,28).
What are the key properties of 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 167961771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).