N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide

C17H32N2O3 — CID 119693933

IUPACN-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCCOCC1CCCO1)C1CCCNC1
InChIInChI=1S/C17H32N2O3/c1-14(15-5-2-7-18-12-15)11-17(20)19-8-4-9-21-13-16-6-3-10-22-16/h14-16,18H,2-13H2,1H3,(H,19,20)
InChIKeyZWBOZBMMNMQTNY-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.71
Rot. Bonds9

About N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide

N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide (PubChem CID 119693933) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
PubChem CID119693933
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCCOCC1CCCO1)C1CCCNC1
InChIInChI=1S/C17H32N2O3/c1-14(15-5-2-7-18-12-15)11-17(20)19-8-4-9-21-13-16-6-3-10-22-16/h14-16,18H,2-13H2,1H3,(H,19,20)
InChIKeyZWBOZBMMNMQTNY-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.71
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-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 103809934
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide (CID 119693933) is N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCCOCC1CCCO1)C1CCCNC1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ZWBOZBMMNMQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-14(15-5-2-7-18-12-15)11-17(20)19-8-4-9-21-13-16-6-3-10-22-16/h14-16,18H,2-13H2,1H3,(H,19,20).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide?
N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide has a molecular weight of 312.45 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119693933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).