4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride

C14H29Cl2N3O2 — CID 120938295

IUPAC4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCCN2CCCCC2)CCOCC1
InChIInChI=1S/C14H27N3O2.2ClH/c15-12-14(4-10-19-11-5-14)13(18)16-6-9-17-7-2-1-3-8-17;;/h1-12,15H2,(H,16,18);2*1H
InChIKeyRIQPILCXYAPHHC-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.19
Rot. Bonds5

About 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride (PubChem CID 120938295) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
PubChem CID120938295
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCCN2CCCCC2)CCOCC1
InChIInChI=1S/C14H27N3O2.2ClH/c15-12-14(4-10-19-11-5-14)13(18)16-6-9-17-7-2-1-3-8-17;;/h1-12,15H2,(H,16,18);2*1H
InChIKeyRIQPILCXYAPHHC-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939135
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 120939231
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
1-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
CID 103813670
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939965
4-(aminomethyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]oxane-4-carboxamide
CID 120941156
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide
CID 120939966
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120942541
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride (CID 120938295) is 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)NCCN2CCCCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride?
The InChIKey is RIQPILCXYAPHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c15-12-14(4-10-19-11-5-14)13(18)16-6-9-17-7-2-1-3-8-17;;/h1-12,15H2,(H,16,18);2*1H.
What are the key properties of 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120938295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).