N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide

C14H26N2O3 — CID 107389460

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide
SMILESCC1(C)OCC(CNC(=O)CCC2CCCNC2)O1
InChIInChI=1S/C14H26N2O3/c1-14(2)18-10-12(19-14)9-16-13(17)6-5-11-4-3-7-15-8-11/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyHQCSFKFCSDIGSU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide (PubChem CID 107389460) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide
PubChem CID107389460
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide
SMILESCC1(C)OCC(CNC(=O)CCC2CCCNC2)O1
InChIInChI=1S/C14H26N2O3/c1-14(2)18-10-12(19-14)9-16-13(17)6-5-11-4-3-7-15-8-11/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyHQCSFKFCSDIGSU-UHFFFAOYSA-N
XLogP1.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-oxohexanoic acid
CID 107388938
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide
CID 107389320
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
3-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557757
N-[(1-methoxycyclobutyl)methyl]-3-piperidin-3-ylpropanamide
CID 114119240
2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 66177244
3-(5-methyloxolan-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557859
N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
CID 114467819
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
N-(3,5-dimethylcyclohexyl)-3-piperidin-3-ylpropanamide
CID 64732320
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide (CID 107389460) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide is CC1(C)OCC(CNC(=O)CCC2CCCNC2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide?
The InChIKey is HQCSFKFCSDIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2)18-10-12(19-14)9-16-13(17)6-5-11-4-3-7-15-8-11/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide has a molecular weight of 270.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 107389460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).