N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide

C17H33N3O — CID 81047419

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCCN1CCC(CNC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-20-9-6-15(7-10-20)12-19-17(21)11-14(2)16-5-4-8-18-13-16/h14-16,18H,3-13H2,1-2H3,(H,19,21)
InChIKeyUZTDMNNSRBDAGN-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.86
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide

N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 81047419) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID81047419
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCCN1CCC(CNC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-20-9-6-15(7-10-20)12-19-17(21)11-14(2)16-5-4-8-18-13-16/h14-16,18H,3-13H2,1-2H3,(H,19,21)
InChIKeyUZTDMNNSRBDAGN-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119785752
N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride
CID 119901725
N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81044187
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898742
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
N-(2-ethoxypropyl)-3-piperidin-3-ylbutanamide
CID 115739458

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide (CID 81047419) is N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide is CCN1CCC(CNC(=O)CC(C)C2CCCNC2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is UZTDMNNSRBDAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-20-9-6-15(7-10-20)12-19-17(21)11-14(2)16-5-4-8-18-13-16/h14-16,18H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 295.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81047419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).