[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone

C18H30N4O — CID 119436014

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CCCCC2C(C)N)cn1
InChIInChI=1S/C18H30N4O/c1-4-11-21(5-2)17-10-9-15(13-20-17)18(23)22-12-7-6-8-16(22)14(3)19/h9-10,13-14,16H,4-8,11-12,19H2,1-3H3
InChIKeyCCRGYEHHECUTQY-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.66
Rot. Bonds6

About [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone

[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone (PubChem CID 119436014) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
PubChem CID119436014
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CCCCC2C(C)N)cn1
InChIInChI=1S/C18H30N4O/c1-4-11-21(5-2)17-10-9-15(13-20-17)18(23)22-12-7-6-8-16(22)14(3)19/h9-10,13-14,16H,4-8,11-12,19H2,1-3H3
InChIKeyCCRGYEHHECUTQY-UHFFFAOYSA-N
XLogP2.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 124569378
[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone
CID 119437588
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 119435141
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119471683
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291325
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
CID 86777162
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone (CID 119436014) is [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone is CCCN(CC)c1ccc(C(=O)N2CCCCC2C(C)N)cn1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone?
The InChIKey is CCRGYEHHECUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-11-21(5-2)17-10-9-15(13-20-17)18(23)22-12-7-6-8-16(22)14(3)19/h9-10,13-14,16H,4-8,11-12,19H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone?
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone has a molecular weight of 318.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 119436014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).