[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone

C16H26N4O — CID 124682502

IUPAC[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ncccc1C(=O)N1CCC[C@H]([C@H](C)N)C1
InChIInChI=1S/C16H26N4O/c1-11(2)19-15-14(7-4-8-18-15)16(21)20-9-5-6-13(10-20)12(3)17/h4,7-8,11-13H,5-6,9-10,17H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyDVMLMVSVOMOKRG-STQMWFEESA-N
MW290.41 g/mol
LogP2.10
Rot. Bonds4

About [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone

[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 124682502) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID124682502
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ncccc1C(=O)N1CCC[C@H]([C@H](C)N)C1
InChIInChI=1S/C16H26N4O/c1-11(2)19-15-14(7-4-8-18-15)16(21)20-9-5-6-13(10-20)12(3)17/h4,7-8,11-13H,5-6,9-10,17H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyDVMLMVSVOMOKRG-STQMWFEESA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119594620
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124688110
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 71990815
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
CID 124688800
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513786

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone (CID 124682502) is [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone is CC(C)Nc1ncccc1C(=O)N1CCC[C@H]([C@H](C)N)C1.
What is the InChIKey of [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is DVMLMVSVOMOKRG-STQMWFEESA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)19-15-14(7-4-8-18-15)16(21)20-9-5-6-13(10-20)12(3)17/h4,7-8,11-13H,5-6,9-10,17H2,1-3H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 124682502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).