(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride

C16H25Cl2N3O — CID 119999315

IUPAC(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCc1cncc(C(=O)N2CCC(C3CCCN3)CC2)c1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12-9-14(11-17-10-12)16(20)19-7-4-13(5-8-19)15-3-2-6-18-15;;/h9-11,13,15,18H,2-8H2,1H3;2*1H
InChIKeyGRRYVBBWIMVDKB-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.84
Rot. Bonds2

About (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride

(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride (PubChem CID 119999315) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
PubChem CID119999315
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCc1cncc(C(=O)N2CCC(C3CCCN3)CC2)c1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12-9-14(11-17-10-12)16(20)19-7-4-13(5-8-19)15-3-2-6-18-15;;/h9-11,13,15,18H,2-8H2,1H3;2*1H
InChIKeyGRRYVBBWIMVDKB-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999596
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(3-bromo-5-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999382

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
The IUPAC name of (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride (CID 119999315) is (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride is Cc1cncc(C(=O)N2CCC(C3CCCN3)CC2)c1.Cl.Cl.
What is the InChIKey of (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
The InChIKey is GRRYVBBWIMVDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-12-9-14(11-17-10-12)16(20)19-7-4-13(5-8-19)15-3-2-6-18-15;;/h9-11,13,15,18H,2-8H2,1H3;2*1H.
What are the key properties of (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119999315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).