3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one

C19H31N5O — CID 97150239

IUPAC3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
SMILESCc1cccnc1N1CCN(C(=O)CCN(C)[C@@H]2CCN(C)C2)CC1
InChIInChI=1S/C19H31N5O/c1-16-5-4-8-20-19(16)24-13-11-23(12-14-24)18(25)7-10-22(3)17-6-9-21(2)15-17/h4-5,8,17H,6-7,9-15H2,1-3H3/t17-/m1/s1
InChIKeyWGLUEPIEARFQRI-QGZVFWFLSA-N
MW345.49 g/mol
LogP1.06
Rot. Bonds5

About 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one

3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one (PubChem CID 97150239) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
PubChem CID97150239
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
SMILESCc1cccnc1N1CCN(C(=O)CCN(C)[C@@H]2CCN(C)C2)CC1
InChIInChI=1S/C19H31N5O/c1-16-5-4-8-20-19(16)24-13-11-23(12-14-24)18(25)7-10-22(3)17-6-9-21(2)15-17/h4-5,8,17H,6-7,9-15H2,1-3H3/t17-/m1/s1
InChIKeyWGLUEPIEARFQRI-QGZVFWFLSA-N
XLogP1.06
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
CID 90651702
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 110838938
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propan-1-one
CID 97269439
2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone
CID 72888763
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 71768327
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 124755816
3-(1-methylpiperidin-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 72852191
3-[(3R)-1-methylpiperidin-3-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 97189893

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one (CID 97150239) is 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one is Cc1cccnc1N1CCN(C(=O)CCN(C)[C@@H]2CCN(C)C2)CC1.
What is the InChIKey of 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The InChIKey is WGLUEPIEARFQRI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O/c1-16-5-4-8-20-19(16)24-13-11-23(12-14-24)18(25)7-10-22(3)17-6-9-21(2)15-17/h4-5,8,17H,6-7,9-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 97150239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).