N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide

C13H23N5O — CID 43130667

IUPACN-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCCCn1ccnc1)N1CCNCC1
InChIInChI=1S/C13H23N5O/c1-12(18-9-5-14-6-10-18)13(19)16-3-2-7-17-8-4-15-11-17/h4,8,11-12,14H,2-3,5-7,9-10H2,1H3,(H,16,19)
InChIKeyXSTDYNRMBXQOGC-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.32
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide

N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide (PubChem CID 43130667) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
PubChem CID43130667
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCCCn1ccnc1)N1CCNCC1
InChIInChI=1S/C13H23N5O/c1-12(18-9-5-14-6-10-18)13(19)16-3-2-7-17-8-4-15-11-17/h4,8,11-12,14H,2-3,5-7,9-10H2,1H3,(H,16,19)
InChIKeyXSTDYNRMBXQOGC-UHFFFAOYSA-N
XLogP-0.32
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide
CID 116677559
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
1-(3-imidazol-1-ylpropyl)-3-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 95570492
3-imidazol-1-ylpropylurea
CID 22179621
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
(2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylpentanoic acid
CID 7530166
N-pent-3-ynyl-2-piperazin-1-ylpropanamide
CID 116644676
3-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 120811822
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
CID 43135799

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide (CID 43130667) is N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide is CC(C(=O)NCCCn1ccnc1)N1CCNCC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide?
The InChIKey is XSTDYNRMBXQOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-12(18-9-5-14-6-10-18)13(19)16-3-2-7-17-8-4-15-11-17/h4,8,11-12,14H,2-3,5-7,9-10H2,1H3,(H,16,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide?
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43130667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).