N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide

C20H41N3O — CID 174183022

IUPACN-(7-methyltetradecan-7-yl)piperazine-1-carboxamide
SMILESCCCCCCCC(C)(CCCCCC)NC(=O)N1CCNCC1
InChIInChI=1S/C20H41N3O/c1-4-6-8-10-12-14-20(3,13-11-9-7-5-2)22-19(24)23-17-15-21-16-18-23/h21H,4-18H2,1-3H3,(H,22,24)
InChIKeyIVZKPTHFBQWRNP-UHFFFAOYSA-N
MW339.57 g/mol
LogP4.69
Rot. Bonds12

About N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide

N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide (PubChem CID 174183022) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methyltetradecan-7-yl)piperazine-1-carboxamide
PubChem CID174183022
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC NameN-(7-methyltetradecan-7-yl)piperazine-1-carboxamide
SMILESCCCCCCCC(C)(CCCCCC)NC(=O)N1CCNCC1
InChIInChI=1S/C20H41N3O/c1-4-6-8-10-12-14-20(3,13-11-9-7-5-2)22-19(24)23-17-15-21-16-18-23/h21H,4-18H2,1-3H3,(H,22,24)
InChIKeyIVZKPTHFBQWRNP-UHFFFAOYSA-N
XLogP4.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
1-piperazin-1-ylpentadecan-1-one
CID 126705881
N-ethylpiperazine-1-carboxamide
CID 9207783
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
methyl 2-methyl-2-piperazin-1-yloctanoate
CID 54894792
2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide
CID 91752756
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
ethyl 2-methyl-2-piperazin-1-ylnonanoate
CID 61002741
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578
N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
CID 162263600
1-tridec-1-en-2-ylpiperazine
CID 142217059

Frequently Asked Questions

What is the IUPAC name of N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide (CID 174183022) is N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide is CCCCCCCC(C)(CCCCCC)NC(=O)N1CCNCC1.
What is the InChIKey of N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide?
The InChIKey is IVZKPTHFBQWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O/c1-4-6-8-10-12-14-20(3,13-11-9-7-5-2)22-19(24)23-17-15-21-16-18-23/h21H,4-18H2,1-3H3,(H,22,24).
What are the key properties of N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide?
N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide has a molecular weight of 339.57 g/mol, XLogP of 4.69, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 174183022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).