[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

C19H28N4O2 — CID 119517024

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN(C(=O)c3ccncc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(20)15-6-11-22(12-7-15)19(25)17-3-2-10-23(13-17)18(24)16-4-8-21-9-5-16/h4-5,8-9,14-15,17H,2-3,6-7,10-13,20H2,1H3
InChIKeyMXIKIOZKEYGUAR-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.52
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 119517024) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
PubChem CID119517024
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN(C(=O)c3ccncc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(20)15-6-11-22(12-7-15)19(25)17-3-2-10-23(13-17)18(24)16-4-8-21-9-5-16/h4-5,8-9,14-15,17H,2-3,6-7,10-13,20H2,1H3
InChIKeyMXIKIOZKEYGUAR-UHFFFAOYSA-N
XLogP1.52
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119516771
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119520839
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
CID 124917954
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (CID 119517024) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is CC(N)C1CCN(C(=O)C2CCCN(C(=O)c3ccncc3)C2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is MXIKIOZKEYGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(20)15-6-11-22(12-7-15)19(25)17-3-2-10-23(13-17)18(24)16-4-8-21-9-5-16/h4-5,8-9,14-15,17H,2-3,6-7,10-13,20H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 119517024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).