N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide

C17H33N3O2 — CID 119930228

IUPACN-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-2-22-13-3-8-19-17(21)16-6-11-20(12-7-16)14-15-4-9-18-10-5-15/h15-16,18H,2-14H2,1H3,(H,19,21)
InChIKeyGKHKBRHVFXUNDU-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.24
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 119930228) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID119930228
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-2-22-13-3-8-19-17(21)16-6-11-20(12-7-16)14-15-4-9-18-10-5-15/h15-16,18H,2-14H2,1H3,(H,19,21)
InChIKeyGKHKBRHVFXUNDU-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.24
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

N-butyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119930290
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
CID 86985142
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55859946

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide (CID 119930228) is N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(CC2CCNCC2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GKHKBRHVFXUNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-22-13-3-8-19-17(21)16-6-11-20(12-7-16)14-15-4-9-18-10-5-15/h15-16,18H,2-14H2,1H3,(H,19,21).
What are the key properties of N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119930228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).