2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide

C17H28N4OS — CID 134505885

IUPAC2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCSC(C)N1CCC(Cc2ccccn2)(NC(=O)C(C)N)CC1
InChIInChI=1S/C17H28N4OS/c1-13(18)16(22)20-17(12-15-6-4-5-9-19-15)7-10-21(11-8-17)14(2)23-3/h4-6,9,13-14H,7-8,10-12,18H2,1-3H3,(H,20,22)
InChIKeyFPUQDTHKCAMPSP-UHFFFAOYSA-N
MW336.50 g/mol
LogP1.63
Rot. Bonds6

About 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide

2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 134505885) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID134505885
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCSC(C)N1CCC(Cc2ccccn2)(NC(=O)C(C)N)CC1
InChIInChI=1S/C17H28N4OS/c1-13(18)16(22)20-17(12-15-6-4-5-9-19-15)7-10-21(11-8-17)14(2)23-3/h4-6,9,13-14H,7-8,10-12,18H2,1-3H3,(H,20,22)
InChIKeyFPUQDTHKCAMPSP-UHFFFAOYSA-N
XLogP1.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
CID 142327146
N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide
CID 155455782
2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715
9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate
CID 134434896
1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone
CID 159270457
N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide
CID 74221816
2-methoxy-N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
CID 74221911
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
(2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide
CID 134434853
N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 74221907
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide
CID 134435543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide (CID 134505885) is 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide is CSC(C)N1CCC(Cc2ccccn2)(NC(=O)C(C)N)CC1.
What is the InChIKey of 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is FPUQDTHKCAMPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13(18)16(22)20-17(12-15-6-4-5-9-19-15)7-10-21(11-8-17)14(2)23-3/h4-6,9,13-14H,7-8,10-12,18H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 336.50 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 134505885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).