N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide

C17H30N2O3 — CID 139599026

IUPACN-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(CCC2COCCO2)CC1)NC1CC1
InChIInChI=1S/C17H30N2O3/c20-17(18-15-2-3-15)4-1-14-5-8-19(9-6-14)10-7-16-13-21-11-12-22-16/h14-16H,1-13H2,(H,18,20)
InChIKeyAGQCKDBSBNNZDR-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.56
Rot. Bonds7

About N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 139599026) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID139599026
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(CCC2COCCO2)CC1)NC1CC1
InChIInChI=1S/C17H30N2O3/c20-17(18-15-2-3-15)4-1-14-5-8-19(9-6-14)10-7-16-13-21-11-12-22-16/h14-16H,1-13H2,(H,18,20)
InChIKeyAGQCKDBSBNNZDR-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(1-propylpiperidin-4-yl)propanamide
CID 42156904
4-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]morpholine
CID 139599433
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 138808108
N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116816962
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
CID 138807936
[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol
CID 139598646
3-(4-aminocyclohexyl)-N-(4-hydroxycyclohexyl)propanamide
CID 62776158
N-cyclopropyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 79394794
3-chloro-N-(1,4-dioxepan-6-yl)propanamide
CID 130658722
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138808586

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide (CID 139599026) is N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(CCC2COCCO2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is AGQCKDBSBNNZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c20-17(18-15-2-3-15)4-1-14-5-8-19(9-6-14)10-7-16-13-21-11-12-22-16/h14-16H,1-13H2,(H,18,20).
What are the key properties of N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 310.44 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 139599026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).