N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide

C15H28N2O2 — CID 103809934

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCOCC1CC1)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-12(14-3-2-6-16-10-14)9-15(18)17-7-8-19-11-13-4-5-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyBFEDUKCLTZMCBI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.55
Rot. Bonds8

About N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide

N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 103809934) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID103809934
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCOCC1CC1)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-12(14-3-2-6-16-10-14)9-15(18)17-7-8-19-11-13-4-5-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyBFEDUKCLTZMCBI-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.55
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-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119693933
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide (CID 103809934) is N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCOCC1CC1)C1CCCNC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is BFEDUKCLTZMCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(14-3-2-6-16-10-14)9-15(18)17-7-8-19-11-13-4-5-13/h12-14,16H,2-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide?
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 268.40 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 103809934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).