3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C20H36ClN5O3 — CID 120578758

IUPAC3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C20H35N5O3.ClH/c21-9-8-18(26)22-14-17-7-1-2-13-25(17)19(27)16-6-5-12-24(15-16)20(28)23-10-3-4-11-23;/h16-17H,1-15,21H2,(H,22,26);1H
InChIKeyWAQQMUCYBSZNNY-UHFFFAOYSA-N
MW429.99 g/mol
LogP1.18
Rot. Bonds5

About 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578758) has the molecular formula C20H36ClN5O3 and a molecular weight of 429.99 g/mol. Its IUPAC name is 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578758
Molecular FormulaC20H36ClN5O3
Molecular Weight429.99 g/mol
Exact Mass429.25
IUPAC Name3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C20H35N5O3.ClH/c21-9-8-18(26)22-14-17-7-1-2-13-25(17)19(27)16-6-5-12-24(15-16)20(28)23-10-3-4-11-23;/h16-17H,1-15,21H2,(H,22,26);1H
InChIKeyWAQQMUCYBSZNNY-UHFFFAOYSA-N
XLogP1.18
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120580308
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579448
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
3-amino-N-[[1-(5-oxo-1-pentan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579955
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578758) is 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is WAQQMUCYBSZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3.ClH/c21-9-8-18(26)22-14-17-7-1-2-13-25(17)19(27)16-6-5-12-24(15-16)20(28)23-10-3-4-11-23;/h16-17H,1-15,21H2,(H,22,26);1H.
What are the key properties of 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 429.99 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).