1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide

C19H31N5O — CID 110951080

IUPAC1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide
SMILESC/N=C(/NCCCN1CCCC(C(N)=O)C1)N(C)Cc1ccccc1
InChIInChI=1S/C19H31N5O/c1-21-19(23(2)14-16-8-4-3-5-9-16)22-11-7-13-24-12-6-10-17(15-24)18(20)25/h3-5,8-9,17H,6-7,10-15H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyLDVHVNWFJDAKCE-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.28
Rot. Bonds7

About 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide

1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide (PubChem CID 110951080) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide
PubChem CID110951080
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide
SMILESC/N=C(/NCCCN1CCCC(C(N)=O)C1)N(C)Cc1ccccc1
InChIInChI=1S/C19H31N5O/c1-21-19(23(2)14-16-8-4-3-5-9-16)22-11-7-13-24-12-6-10-17(15-24)18(20)25/h3-5,8-9,17H,6-7,10-15H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyLDVHVNWFJDAKCE-UHFFFAOYSA-N
XLogP1.28
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 110951079
1-[3-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 110986286
1-benzyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-1,2-dimethylguanidine
CID 110950714
1-[3-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111359170
1-[3-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111856157
1-[(4-ethylphenyl)methyl]-1,2-dimethyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111282928
1-[3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111949581
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
1-[3-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111608950
1-[3-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111394996
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-[4-[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111282646

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide (CID 110951080) is 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide is C/N=C(/NCCCN1CCCC(C(N)=O)C1)N(C)Cc1ccccc1.
What is the InChIKey of 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide?
The InChIKey is LDVHVNWFJDAKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-21-19(23(2)14-16-8-4-3-5-9-16)22-11-7-13-24-12-6-10-17(15-24)18(20)25/h3-5,8-9,17H,6-7,10-15H2,1-2H3,(H2,20,25)(H,21,22).
What are the key properties of 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide?
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 110951080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).