N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide

C17H31N3O — CID 119900324

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CC(C)N(C2CC2)C1)C1CCCNC1
InChIInChI=1S/C17H31N3O/c1-12(14-4-3-7-18-10-14)8-17(21)19-15-9-13(2)20(11-15)16-5-6-16/h12-16,18H,3-11H2,1-2H3,(H,19,21)
InChIKeyKDUQBDTVAMPWAZ-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.75
Rot. Bonds5

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119900324) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
PubChem CID119900324
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CC(C)N(C2CC2)C1)C1CCCNC1
InChIInChI=1S/C17H31N3O/c1-12(14-4-3-7-18-10-14)8-17(21)19-15-9-13(2)20(11-15)16-5-6-16/h12-16,18H,3-11H2,1-2H3,(H,19,21)
InChIKeyKDUQBDTVAMPWAZ-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.75
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
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119784945
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119818276
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide (CID 119900324) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC1CC(C)N(C2CC2)C1)C1CCCNC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is KDUQBDTVAMPWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(14-4-3-7-18-10-14)8-17(21)19-15-9-13(2)20(11-15)16-5-6-16/h12-16,18H,3-11H2,1-2H3,(H,19,21).
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 293.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119900324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).