3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide

C18H29N3O — CID 30899995

IUPAC3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-18(2,3)15-17(22)19-9-10-20-11-13-21(14-12-20)16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,19,22)
InChIKeyNUVHIITZGSPCGH-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.36
Rot. Bonds5

About 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide

3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide (PubChem CID 30899995) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
PubChem CID30899995
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-18(2,3)15-17(22)19-9-10-20-11-13-21(14-12-20)16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,19,22)
InChIKeyNUVHIITZGSPCGH-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
tert-butyl (2S)-2-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55938893
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide (CID 30899995) is 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide is CC(C)(C)CC(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is NUVHIITZGSPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-18(2,3)15-17(22)19-9-10-20-11-13-21(14-12-20)16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,19,22).
What are the key properties of 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 303.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 30899995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).