3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane

C23H39N3O — CID 170576204

IUPAC3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane
SMILESCC(C)C.CNCCC(=O)N1CCC(c2ccccc2C2CCCN2)CC1
InChIInChI=1S/C19H29N3O.C4H10/c1-20-12-8-19(23)22-13-9-15(10-14-22)16-5-2-3-6-17(16)18-7-4-11-21-18;1-4(2)3/h2-3,5-6,15,18,20-21H,4,7-14H2,1H3;4H,1-3H3
InChIKeyAIWHJRQTCNMHJF-UHFFFAOYSA-N
MW373.59 g/mol
LogP4.09
Rot. Bonds5

About 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane

3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane (PubChem CID 170576204) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane.

Molecular Properties

Compound Name3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane
PubChem CID170576204
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane
SMILESCC(C)C.CNCCC(=O)N1CCC(c2ccccc2C2CCCN2)CC1
InChIInChI=1S/C19H29N3O.C4H10/c1-20-12-8-19(23)22-13-9-15(10-14-22)16-5-2-3-6-17(16)18-7-4-11-21-18;1-4(2)3/h2-3,5-6,15,18,20-21H,4,7-14H2,1H3;4H,1-3H3
InChIKeyAIWHJRQTCNMHJF-UHFFFAOYSA-N
XLogP4.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one
CID 167249262
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-[2-(oxetan-3-yl)phenyl]pyrrolidine
CID 83832200
[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
CID 56782456
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
1-[4-(2-aminophenyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 170456860
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane?
The IUPAC name of 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane (CID 170576204) is 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane.
What is the SMILES notation for 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane?
The canonical SMILES for 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane is CC(C)C.CNCCC(=O)N1CCC(c2ccccc2C2CCCN2)CC1.
What is the InChIKey of 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane?
The InChIKey is AIWHJRQTCNMHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.C4H10/c1-20-12-8-19(23)22-13-9-15(10-14-22)16-5-2-3-6-17(16)18-7-4-11-21-18;1-4(2)3/h2-3,5-6,15,18,20-21H,4,7-14H2,1H3;4H,1-3H3.
What are the key properties of 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane?
3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane has a molecular weight of 373.59 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane is sourced from PubChem (CID 170576204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).