[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone

C19H31N3O — CID 119648502

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
SMILESCCCN(C)c1ccc(C(=O)N2CCC(CNCC)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-4-12-21(3)18-8-6-17(7-9-18)19(23)22-13-10-16(11-14-22)15-20-5-2/h6-9,16,20H,4-5,10-15H2,1-3H3
InChIKeyFMLDQIHZTRLYBM-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.99
Rot. Bonds7

About [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone (PubChem CID 119648502) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
PubChem CID119648502
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
SMILESCCCN(C)c1ccc(C(=O)N2CCC(CNCC)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-4-12-21(3)18-8-6-17(7-9-18)19(23)22-13-10-16(11-14-22)15-20-5-2/h6-9,16,20H,4-5,10-15H2,1-3H3
InChIKeyFMLDQIHZTRLYBM-UHFFFAOYSA-N
XLogP2.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119648513
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 136579646

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone (CID 119648502) is [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone is CCCN(C)c1ccc(C(=O)N2CCC(CNCC)CC2)cc1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
The InChIKey is FMLDQIHZTRLYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-12-21(3)18-8-6-17(7-9-18)19(23)22-13-10-16(11-14-22)15-20-5-2/h6-9,16,20H,4-5,10-15H2,1-3H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone has a molecular weight of 317.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone is sourced from PubChem (CID 119648502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).