[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone

C20H32N4O — CID 119493758

IUPAC[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1
InChIInChI=1S/C20H32N4O/c1-16(2)22-11-13-23(14-12-22)19-8-6-17(7-9-19)20(25)24-10-4-5-18(15-24)21-3/h6-9,16,18,21H,4-5,10-15H2,1-3H3
InChIKeyJNSCYENSROSBFP-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.04
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone

[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone (PubChem CID 119493758) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
PubChem CID119493758
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1
InChIInChI=1S/C20H32N4O/c1-16(2)22-11-13-23(14-12-22)19-8-6-17(7-9-19)20(25)24-10-4-5-18(15-24)21-3/h6-9,16,18,21H,4-5,10-15H2,1-3H3
InChIKeyJNSCYENSROSBFP-UHFFFAOYSA-N
XLogP2.04
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119381756
[3-(methylaminomethyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 119398891
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(2R)-1-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371187
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
N-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119493599
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone (CID 119493758) is [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone is CNC1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
The InChIKey is JNSCYENSROSBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(2)22-11-13-23(14-12-22)19-8-6-17(7-9-19)20(25)24-10-4-5-18(15-24)21-3/h6-9,16,18,21H,4-5,10-15H2,1-3H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone has a molecular weight of 344.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone is sourced from PubChem (CID 119493758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).