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

C15H28ClN3O3 — CID 120790917

IUPACN-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
SMILESCCC(=O)NC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-13(19)17-12-4-3-7-18(10-12)15(20)14(16)11-5-8-21-9-6-11;/h11-12,14H,2-10,16H2,1H3,(H,17,19);1H
InChIKeyDIWKKLJPKYRWLP-UHFFFAOYSA-N
MW333.86 g/mol
LogP0.68
Rot. Bonds4

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

N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride (PubChem CID 120790917) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
PubChem CID120790917
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC NameN-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
SMILESCCC(=O)NC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-13(19)17-12-4-3-7-18(10-12)15(20)14(16)11-5-8-21-9-6-11;/h11-12,14H,2-10,16H2,1H3,(H,17,19);1H
InChIKeyDIWKKLJPKYRWLP-UHFFFAOYSA-N
XLogP0.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.68
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]-2-methylpropanamide;hydrochloride
CID 120790923
N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride
CID 119310713
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120795292
2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793368
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 120787494
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120801009
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
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120788464
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120801010

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride?
The IUPAC name of N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride (CID 120790917) is N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride is CCC(=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]propanamide;hydrochloride?
The InChIKey is DIWKKLJPKYRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-2-13(19)17-12-4-3-7-18(10-12)15(20)14(16)11-5-8-21-9-6-11;/h11-12,14H,2-10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride?
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.68, 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]propanamide;hydrochloride is sourced from PubChem (CID 120790917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).