N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide

C12H23N3O2 — CID 63333083

IUPACN-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C2CCOC2)C1
InChIInChI=1S/C12H23N3O2/c13-4-5-14-12(16)10-2-1-6-15(8-10)11-3-7-17-9-11/h10-11H,1-9,13H2,(H,14,16)
InChIKeyCWIRUPZJPYEWJL-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.44
Rot. Bonds4

About N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide (PubChem CID 63333083) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
PubChem CID63333083
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C2CCOC2)C1
InChIInChI=1S/C12H23N3O2/c13-4-5-14-12(16)10-2-1-6-15(8-10)11-3-7-17-9-11/h10-11H,1-9,13H2,(H,14,16)
InChIKeyCWIRUPZJPYEWJL-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 63252377
N-(2-aminoethyl)-1-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
CID 63252234
N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 63252510
1-(oxolan-3-yl)piperidine-3-carboxylic acid
CID 63557363
N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide
CID 64625243
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
CID 79946528
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97188368
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide (CID 63333083) is N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C2CCOC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide?
The InChIKey is CWIRUPZJPYEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-4-5-14-12(16)10-2-1-6-15(8-10)11-3-7-17-9-11/h10-11H,1-9,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63333083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).