3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride

C13H26Cl2N4O2 — CID 122084349

IUPAC3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCC1CCCCN1C(=O)C1CNC1
InChIInChI=1S/C13H24N4O2.2ClH/c14-5-4-12(18)16-9-11-3-1-2-6-17(11)13(19)10-7-15-8-10;;/h10-11,15H,1-9,14H2,(H,16,18);2*1H
InChIKeyQVQVBFQKYVDBFW-UHFFFAOYSA-N
MW341.28 g/mol
LogP-0.10
Rot. Bonds5

About 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride

3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride (PubChem CID 122084349) has the molecular formula C13H26Cl2N4O2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
PubChem CID122084349
Molecular FormulaC13H26Cl2N4O2
Molecular Weight341.28 g/mol
Exact Mass340.14
IUPAC Name3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCC1CCCCN1C(=O)C1CNC1
InChIInChI=1S/C13H24N4O2.2ClH/c14-5-4-12(18)16-9-11-3-1-2-6-17(11)13(19)10-7-15-8-10;;/h10-11,15H,1-9,14H2,(H,16,18);2*1H
InChIKeyQVQVBFQKYVDBFW-UHFFFAOYSA-N
XLogP-0.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
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3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
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[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
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3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
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3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-[2-(4-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride (CID 122084349) is 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NCC1CCCCN1C(=O)C1CNC1.
What is the InChIKey of 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The InChIKey is QVQVBFQKYVDBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.2ClH/c14-5-4-12(18)16-9-11-3-1-2-6-17(11)13(19)10-7-15-8-10;;/h10-11,15H,1-9,14H2,(H,16,18);2*1H.
What are the key properties of 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 122084349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).