[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone

C18H24N4OS — CID 131892120

IUPAC[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cnccc1NCCNC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N4OS/c1-14-13-19-7-4-16(14)21-9-8-20-15-5-10-22(11-6-15)18(23)17-3-2-12-24-17/h2-4,7,12-13,15,20H,5-6,8-11H2,1H3,(H,19,21)
InChIKeyOVDFVGSHWYQCQI-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.76
Rot. Bonds6

About [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 131892120) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID131892120
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cnccc1NCCNC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N4OS/c1-14-13-19-7-4-16(14)21-9-8-20-15-5-10-22(11-6-15)18(23)17-3-2-12-24-17/h2-4,7,12-13,15,20H,5-6,8-11H2,1H3,(H,19,21)
InChIKeyOVDFVGSHWYQCQI-UHFFFAOYSA-N
XLogP2.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 56715058
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 166274928

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone (CID 131892120) is [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1cnccc1NCCNC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OVDFVGSHWYQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-13-19-7-4-16(14)21-9-8-20-15-5-10-22(11-6-15)18(23)17-3-2-12-24-17/h2-4,7,12-13,15,20H,5-6,8-11H2,1H3,(H,19,21).
What are the key properties of [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 344.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131892120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).