N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

C17H28N4O — CID 119408955

IUPACN-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)NCCCN)cc2)CC1
InChIInChI=1S/C17H28N4O/c1-14(2)20-10-12-21(13-11-20)16-6-4-15(5-7-16)17(22)19-9-3-8-18/h4-7,14H,3,8-13,18H2,1-2H3,(H,19,22)
InChIKeyQHRUTOWHXCTPEN-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.30
Rot. Bonds6

About N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (PubChem CID 119408955) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
PubChem CID119408955
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)NCCCN)cc2)CC1
InChIInChI=1S/C17H28N4O/c1-14(2)20-10-12-21(13-11-20)16-6-4-15(5-7-16)17(22)19-9-3-8-18/h4-7,14H,3,8-13,18H2,1-2H3,(H,19,22)
InChIKeyQHRUTOWHXCTPEN-UHFFFAOYSA-N
XLogP1.30
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.30
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-[(2-hydroxycyclopentyl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 111464001
N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
CID 83955073
N-[[(2S)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812050
N-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812051
N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride
CID 120648211
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 95592894
N-[[(2S)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 95592893
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
(2R)-4-methyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]pentanoic acid
CID 119363797
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide
CID 141337083

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The IUPAC name of N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (CID 119408955) is N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is CC(C)N1CCN(c2ccc(C(=O)NCCCN)cc2)CC1.
What is the InChIKey of N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The InChIKey is QHRUTOWHXCTPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(2)20-10-12-21(13-11-20)16-6-4-15(5-7-16)17(22)19-9-3-8-18/h4-7,14H,3,8-13,18H2,1-2H3,(H,19,22).
What are the key properties of N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide has a molecular weight of 304.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is sourced from PubChem (CID 119408955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).