N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

C17H33ClN2O3 — CID 119800061

IUPACN-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCOCC1CCOC1)C1CCNCC1.Cl
InChIInChI=1S/C17H32N2O3.ClH/c1-14(16-3-7-18-8-4-16)11-17(20)19-6-2-9-21-12-15-5-10-22-13-15;/h14-16,18H,2-13H2,1H3,(H,19,20);1H
InChIKeyZJRWDEOHGVBMHR-UHFFFAOYSA-N
MW348.92 g/mol
LogP1.99
Rot. Bonds9

About N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119800061) has the molecular formula C17H33ClN2O3 and a molecular weight of 348.92 g/mol. Its IUPAC name is N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119800061
Molecular FormulaC17H33ClN2O3
Molecular Weight348.92 g/mol
Exact Mass348.22
IUPAC NameN-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCOCC1CCOC1)C1CCNCC1.Cl
InChIInChI=1S/C17H32N2O3.ClH/c1-14(16-3-7-18-8-4-16)11-17(20)19-6-2-9-21-12-15-5-10-22-13-15;/h14-16,18H,2-13H2,1H3,(H,19,20);1H
InChIKeyZJRWDEOHGVBMHR-UHFFFAOYSA-N
XLogP1.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 51.99
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-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide
CID 119675581
N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
CID 120501461
methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
CID 119684765
2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
CID 119800069
N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119693933
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 103809934

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119800061) is N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCCOCC1CCOC1)C1CCNCC1.Cl.
What is the InChIKey of N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is ZJRWDEOHGVBMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3.ClH/c1-14(16-3-7-18-8-4-16)11-17(20)19-6-2-9-21-12-15-5-10-22-13-15;/h14-16,18H,2-13H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119800061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).