4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide

C18H30N4O — CID 119903454

IUPAC4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
SMILESCNCCCC(=O)NC(C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H30N4O/c1-16(20-18(23)9-6-10-19-2)15-21-11-13-22(14-12-21)17-7-4-3-5-8-17/h3-5,7-8,16,19H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyHZRQGYADQVOZEG-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.31
Rot. Bonds8

About 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide

4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide (PubChem CID 119903454) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
PubChem CID119903454
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
SMILESCNCCCC(=O)NC(C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H30N4O/c1-16(20-18(23)9-6-10-19-2)15-21-11-13-22(14-12-21)17-7-4-3-5-8-17/h3-5,7-8,16,19H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyHZRQGYADQVOZEG-UHFFFAOYSA-N
XLogP1.31
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide
CID 95776434
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
1-(4-hydroxy-3-methylbutan-2-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 111506661
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 100647066
2-chloro-5-hydroxy-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 119035650
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688385
4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 119804040
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194
2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 122144017

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide?
The IUPAC name of 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide (CID 119903454) is 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide is CNCCCC(=O)NC(C)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide?
The InChIKey is HZRQGYADQVOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-16(20-18(23)9-6-10-19-2)15-21-11-13-22(14-12-21)17-7-4-3-5-8-17/h3-5,7-8,16,19H,6,9-15H2,1-2H3,(H,20,23).
What are the key properties of 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide?
4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide has a molecular weight of 318.47 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide is sourced from PubChem (CID 119903454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).