3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride

C15H23Cl3N4O2 — CID 120580168

IUPAC3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCC1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C15H21ClN4O2.2ClH/c16-13-10-18-7-5-12(13)15(22)20-8-2-1-3-11(20)9-19-14(21)4-6-17;;/h5,7,10-11H,1-4,6,8-9,17H2,(H,19,21);2*1H
InChIKeyQKAVLEYADPMZKP-UHFFFAOYSA-N
MW397.73 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride

3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride (PubChem CID 120580168) has the molecular formula C15H23Cl3N4O2 and a molecular weight of 397.73 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
PubChem CID120580168
Molecular FormulaC15H23Cl3N4O2
Molecular Weight397.73 g/mol
Exact Mass396.09
IUPAC Name3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCC1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C15H21ClN4O2.2ClH/c16-13-10-18-7-5-12(13)15(22)20-8-2-1-3-11(20)9-19-14(21)4-6-17;;/h5,7,10-11H,1-4,6,8-9,17H2,(H,19,21);2*1H
InChIKeyQKAVLEYADPMZKP-UHFFFAOYSA-N
XLogP2.04
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.73
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride with MolForge

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Related Compounds

(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578002
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580258
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579670

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride (CID 120580168) is 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NCC1CCCCN1C(=O)c1ccncc1Cl.
What is the InChIKey of 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The InChIKey is QKAVLEYADPMZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2.2ClH/c16-13-10-18-7-5-12(13)15(22)20-8-2-1-3-11(20)9-19-14(21)4-6-17;;/h5,7,10-11H,1-4,6,8-9,17H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride has a molecular weight of 397.73 g/mol, XLogP of 2.04, 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-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 120580168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).