N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide

C19H35N3O2S — CID 45208762

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCSC)CC1
InChIInChI=1S/C19H35N3O2S/c1-3-21-11-4-5-17(21)15-20-18(23)7-6-16-8-12-22(13-9-16)19(24)10-14-25-2/h16-17H,3-15H2,1-2H3,(H,20,23)
InChIKeyVCCNOEKVEUJBGU-UHFFFAOYSA-N
MW369.58 g/mol
LogP2.36
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide (PubChem CID 45208762) has the molecular formula C19H35N3O2S and a molecular weight of 369.58 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide
PubChem CID45208762
Molecular FormulaC19H35N3O2S
Molecular Weight369.58 g/mol
Exact Mass369.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCSC)CC1
InChIInChI=1S/C19H35N3O2S/c1-3-21-11-4-5-17(21)15-20-18(23)7-6-16-8-12-22(13-9-16)19(24)10-14-25-2/h16-17H,3-15H2,1-2H3,(H,20,23)
InChIKeyVCCNOEKVEUJBGU-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
CID 24819265
N-cyclopropyl-3-{1-[(methylthio)acetyl]-4-piperidinyl}propanamide
CID 24792133
4-methyl-N-[1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 16187658
N-cyclopropyl-3-{1-[3-(methylthio)propanoyl]-4-piperidinyl}propanamide
CID 24817520
H-Ile-Ile-aMePro-Leu-Met-NH2
CID 44454261
H-Ile-Ile-Pro-Leu-Met-NH2
CID 44454324
Ac-Met-Ile-Lys-Leu-NH2
CID 145961611
4-[1-(Butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
CID 135004267
N-[1-{[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16478636
N-[3-(2-Ethylpiperidin-1-YL)propyl]-2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)butanamide
CID 22422531
N-[2-(dimethylamino)ethyl]-3-[1-(tetrahydro-3-thienyl)-4-piperidinyl]propanamide
CID 45211862
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]propanamide
CID 45244352

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide (CID 45208762) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCSC)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
The InChIKey is VCCNOEKVEUJBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2S/c1-3-21-11-4-5-17(21)15-20-18(23)7-6-16-8-12-22(13-9-16)19(24)10-14-25-2/h16-17H,3-15H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide has a molecular weight of 369.58 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45208762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).