3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide

C20H29N3O2 — CID 119684708

IUPAC3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccccc1C(=O)N1CCCC1)C1CCCNC1
InChIInChI=1S/C20H29N3O2/c1-15(16-7-6-10-21-14-16)13-19(24)22-18-9-3-2-8-17(18)20(25)23-11-4-5-12-23/h2-3,8-9,15-16,21H,4-7,10-14H2,1H3,(H,22,24)
InChIKeyVABSTMBXXGNEPH-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.89
Rot. Bonds5

About 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide

3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 119684708) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID119684708
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccccc1C(=O)N1CCCC1)C1CCCNC1
InChIInChI=1S/C20H29N3O2/c1-15(16-7-6-10-21-14-16)13-19(24)22-18-9-3-2-8-17(18)20(25)23-11-4-5-12-23/h2-3,8-9,15-16,21H,4-7,10-14H2,1H3,(H,22,24)
InChIKeyVABSTMBXXGNEPH-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119750611
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119741220
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 119684708) is 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide is CC(CC(=O)Nc1ccccc1C(=O)N1CCCC1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is VABSTMBXXGNEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(16-7-6-10-21-14-16)13-19(24)22-18-9-3-2-8-17(18)20(25)23-11-4-5-12-23/h2-3,8-9,15-16,21H,4-7,10-14H2,1H3,(H,22,24).
What are the key properties of 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 343.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 119684708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).