4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide

C15H29N3O2 — CID 120939231

IUPAC4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H29N3O2/c1-13-4-2-3-8-18(13)9-7-17-14(19)15(12-16)5-10-20-11-6-15/h13H,2-12,16H2,1H3,(H,17,19)
InChIKeyVNQRLIPZQNKPSD-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.73
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide (PubChem CID 120939231) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
PubChem CID120939231
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H29N3O2/c1-13-4-2-3-8-18(13)9-7-17-14(19)15(12-16)5-10-20-11-6-15/h13H,2-12,16H2,1H3,(H,17,19)
InChIKeyVNQRLIPZQNKPSD-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride
CID 120939179
4-(aminomethyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938863
4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94676201
4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 120642550
4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674198
1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097465
(2R)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 124815610
4-(aminomethyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]oxane-4-carboxamide
CID 120941156
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109
(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798205

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide (CID 120939231) is 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide is CC1CCCCN1CCNC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
The InChIKey is VNQRLIPZQNKPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13-4-2-3-8-18(13)9-7-17-14(19)15(12-16)5-10-20-11-6-15/h13H,2-12,16H2,1H3,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.73, 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-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 120939231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).