N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride

C16H30ClN3O3 — CID 120790923

IUPACN-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-11(2)15(20)18-13-4-3-7-19(10-13)16(21)14(17)12-5-8-22-9-6-12;/h11-14H,3-10,17H2,1-2H3,(H,18,20);1H
InChIKeyUFMHCYGFQJHQOB-UHFFFAOYSA-N
MW347.89 g/mol
LogP0.93
Rot. Bonds4

About N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride

N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride (PubChem CID 120790923) has the molecular formula C16H30ClN3O3 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
PubChem CID120790923
Molecular FormulaC16H30ClN3O3
Molecular Weight347.89 g/mol
Exact Mass347.20
IUPAC NameN-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-11(2)15(20)18-13-4-3-7-19(10-13)16(21)14(17)12-5-8-22-9-6-12;/h11-14H,3-10,17H2,1-2H3,(H,18,20);1H
InChIKeyUFMHCYGFQJHQOB-UHFFFAOYSA-N
XLogP0.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
CID 120790917
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120929371
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120795292
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917
N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 119761594
2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride
CID 120792735
2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793368
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796599
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride (CID 120790923) is N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)NC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl.
What is the InChIKey of N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The InChIKey is UFMHCYGFQJHQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3.ClH/c1-11(2)15(20)18-13-4-3-7-19(10-13)16(21)14(17)12-5-8-22-9-6-12;/h11-14H,3-10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 120790923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).