3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one

C22H35N3O — CID 167249262

IUPAC3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one
SMILESCNCCC(=O)N1CCC(c2ccccc2[C@H]2CCCN2C(C)C)CC1
InChIInChI=1S/C22H35N3O/c1-17(2)25-14-6-9-21(25)20-8-5-4-7-19(20)18-11-15-24(16-12-18)22(26)10-13-23-3/h4-5,7-8,17-18,21,23H,6,9-16H2,1-3H3/t21-/m1/s1
InChIKeyNUCLSWCJQHQZGT-OAQYLSRUSA-N
MW357.54 g/mol
LogP3.55
Rot. Bonds6

About 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one

3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one (PubChem CID 167249262) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one
PubChem CID167249262
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one
SMILESCNCCC(=O)N1CCC(c2ccccc2[C@H]2CCCN2C(C)C)CC1
InChIInChI=1S/C22H35N3O/c1-17(2)25-14-6-9-21(25)20-8-5-4-7-19(20)18-11-15-24(16-12-18)22(26)10-13-23-3/h4-5,7-8,17-18,21,23H,6,9-16H2,1-3H3/t21-/m1/s1
InChIKeyNUCLSWCJQHQZGT-OAQYLSRUSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(methylamino)-1-[4-(2-pyrrolidin-2-ylphenyl)piperidin-1-yl]propan-1-one;2-methylpropane
CID 170576204
1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine
CID 167249257
[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
CID 56782456
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
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
1-[4-(2-aminophenyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 170456860
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911
N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
CID 102540130
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one (CID 167249262) is 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one is CNCCC(=O)N1CCC(c2ccccc2[C@H]2CCCN2C(C)C)CC1.
What is the InChIKey of 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one?
The InChIKey is NUCLSWCJQHQZGT-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H35N3O/c1-17(2)25-14-6-9-21(25)20-8-5-4-7-19(20)18-11-15-24(16-12-18)22(26)10-13-23-3/h4-5,7-8,17-18,21,23H,6,9-16H2,1-3H3/t21-/m1/s1.
What are the key properties of 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one?
3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one has a molecular weight of 357.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[4-[2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]phenyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 167249262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).