4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide

C15H25N5O — CID 107355691

IUPAC4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-3-6-17-15(21)20-9-7-19(8-10-20)14-5-4-13(11-16)12-18-14/h4-5,12H,2-3,6-11,16H2,1H3,(H,17,21)
InChIKeyDGCXCGVZDBUURG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.17
Rot. Bonds5

About 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide

4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide (PubChem CID 107355691) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
PubChem CID107355691
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-3-6-17-15(21)20-9-7-19(8-10-20)14-5-4-13(11-16)12-18-14/h4-5,12H,2-3,6-11,16H2,1H3,(H,17,21)
InChIKeyDGCXCGVZDBUURG-UHFFFAOYSA-N
XLogP1.17
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.17
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

4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
N-butyl-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 2747242
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
CID 107355800
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
N-butylaziridine-1-carboxamide
CID 55206947
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393229
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide (CID 107355691) is 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide?
The InChIKey is DGCXCGVZDBUURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-3-6-17-15(21)20-9-7-19(8-10-20)14-5-4-13(11-16)12-18-14/h4-5,12H,2-3,6-11,16H2,1H3,(H,17,21).
What are the key properties of 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide?
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide is sourced from PubChem (CID 107355691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).