N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide

C19H36N2O2 — CID 119812192

IUPACN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCCOCCC1(CNC(=O)CC(C)C2CCNCC2)CCCC1
InChIInChI=1S/C19H36N2O2/c1-3-23-13-10-19(8-4-5-9-19)15-21-18(22)14-16(2)17-6-11-20-12-7-17/h16-17,20H,3-15H2,1-2H3,(H,21,22)
InChIKeyBXQVKUIMJODARU-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.12
Rot. Bonds9

About N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide

N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119812192) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide
PubChem CID119812192
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC NameN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCCOCCC1(CNC(=O)CC(C)C2CCNCC2)CCCC1
InChIInChI=1S/C19H36N2O2/c1-3-23-13-10-19(8-4-5-9-19)15-21-18(22)14-16(2)17-6-11-20-12-7-17/h16-17,20H,3-15H2,1-2H3,(H,21,22)
InChIKeyBXQVKUIMJODARU-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.12
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

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119820386
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide
CID 119675581
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide
CID 119812115
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336
3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
CID 119682326
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide (CID 119812192) is N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide is CCOCCC1(CNC(=O)CC(C)C2CCNCC2)CCCC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is BXQVKUIMJODARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-3-23-13-10-19(8-4-5-9-19)15-21-18(22)14-16(2)17-6-11-20-12-7-17/h16-17,20H,3-15H2,1-2H3,(H,21,22).
What are the key properties of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide?
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 324.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119812192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).