1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide

C20H41N3O — CID 155037195

IUPAC1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NCCCCCCCNC(C)C)CC1
InChIInChI=1S/C20H41N3O/c1-17(2)16-23-14-10-19(11-15-23)20(24)22-13-9-7-5-6-8-12-21-18(3)4/h17-19,21H,5-16H2,1-4H3,(H,22,24)
InChIKeyXFASKKHUXOZWMJ-UHFFFAOYSA-N
MW339.57 g/mol
LogP3.42
Rot. Bonds12

About 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide

1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide (PubChem CID 155037195) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide
PubChem CID155037195
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC Name1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NCCCCCCCNC(C)C)CC1
InChIInChI=1S/C20H41N3O/c1-17(2)16-23-14-10-19(11-15-23)20(24)22-13-9-7-5-6-8-12-21-18(3)4/h17-19,21H,5-16H2,1-4H3,(H,22,24)
InChIKeyXFASKKHUXOZWMJ-UHFFFAOYSA-N
XLogP3.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 169317104
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one
CID 165072868
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
1-(2-amino-2-oxoethyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16909145
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide (CID 155037195) is 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)NCCCCCCCNC(C)C)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide?
The InChIKey is XFASKKHUXOZWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O/c1-17(2)16-23-14-10-19(11-15-23)20(24)22-13-9-7-5-6-8-12-21-18(3)4/h17-19,21H,5-16H2,1-4H3,(H,22,24).
What are the key properties of 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide?
1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide has a molecular weight of 339.57 g/mol, XLogP of 3.42, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide is sourced from PubChem (CID 155037195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).