4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide

C16H31N3O2 — CID 120940265

IUPAC4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)C2(CN)CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)19-7-3-4-14(11-19)10-18-15(20)16(12-17)5-8-21-9-6-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyRTRAGODOBUNWMC-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.98
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide (PubChem CID 120940265) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
PubChem CID120940265
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)C2(CN)CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)19-7-3-4-14(11-19)10-18-15(20)16(12-17)5-8-21-9-6-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyRTRAGODOBUNWMC-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 120645530
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95598578
4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
CID 80588032

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide (CID 120940265) is 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide is CC(C)N1CCCC(CNC(=O)C2(CN)CCOCC2)C1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is RTRAGODOBUNWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)19-7-3-4-14(11-19)10-18-15(20)16(12-17)5-8-21-9-6-16/h13-14H,3-12,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120940265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).