[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone

C19H31N5O — CID 120836162

IUPAC[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
SMILESCCN(C)c1ccc(CN2CCCC(C(=O)N3CCNCC3)C2)cn1
InChIInChI=1S/C19H31N5O/c1-3-22(2)18-7-6-16(13-21-18)14-23-10-4-5-17(15-23)19(25)24-11-8-20-9-12-24/h6-7,13,17,20H,3-5,8-12,14-15H2,1-2H3
InChIKeyXJYMPKJYWDRILL-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.18
Rot. Bonds5

About [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone

[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone (PubChem CID 120836162) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
PubChem CID120836162
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
SMILESCCN(C)c1ccc(CN2CCCC(C(=O)N3CCNCC3)C2)cn1
InChIInChI=1S/C19H31N5O/c1-3-22(2)18-7-6-16(13-21-18)14-23-10-4-5-17(15-23)19(25)24-11-8-20-9-12-24/h6-7,13,17,20H,3-5,8-12,14-15H2,1-2H3
InChIKeyXJYMPKJYWDRILL-UHFFFAOYSA-N
XLogP1.18
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70731123
[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836185
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836090
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
5-[(3,5-dimethylpiperazin-1-yl)methyl]-N-ethyl-N-methylpyridin-2-amine
CID 120840096
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836097
[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030
[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012

Frequently Asked Questions

What is the IUPAC name of [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone (CID 120836162) is [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone is CCN(C)c1ccc(CN2CCCC(C(=O)N3CCNCC3)C2)cn1.
What is the InChIKey of [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is XJYMPKJYWDRILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-3-22(2)18-7-6-16(13-21-18)14-23-10-4-5-17(15-23)19(25)24-11-8-20-9-12-24/h6-7,13,17,20H,3-5,8-12,14-15H2,1-2H3.
What are the key properties of [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 345.49 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 120836162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).