N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide

C15H29N3O — CID 81043754

IUPACN-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCCN(C)C1)C1CCCNC1
InChIInChI=1S/C15H29N3O/c1-12(13-5-3-7-16-10-13)9-15(19)17-14-6-4-8-18(2)11-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyBXXBGGJHTRSNAF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.22
Rot. Bonds4

About N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide

N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide (PubChem CID 81043754) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
PubChem CID81043754
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCCN(C)C1)C1CCCNC1
InChIInChI=1S/C15H29N3O/c1-12(13-5-3-7-16-10-13)9-15(19)17-14-6-4-8-18(2)11-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyBXXBGGJHTRSNAF-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119818276
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide (CID 81043754) is N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC1CCCN(C)C1)C1CCCNC1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is BXXBGGJHTRSNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(13-5-3-7-16-10-13)9-15(19)17-14-6-4-8-18(2)11-14/h12-14,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide?
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 267.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81043754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).