N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide

C21H39N3OS — CID 45186777

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCSCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C21H39N3OS/c1-26-18-21(25)24(15-14-22-11-5-2-6-12-22)17-19-8-7-13-23(16-19)20-9-3-4-10-20/h19-20H,2-18H2,1H3
InChIKeyKLKIRGZTNMMSMN-UHFFFAOYSA-N
MW381.63 g/mol
LogP3.32
Rot. Bonds8

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 45186777) has the molecular formula C21H39N3OS and a molecular weight of 381.63 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID45186777
Molecular FormulaC21H39N3OS
Molecular Weight381.63 g/mol
Exact Mass381.28
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCSCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C21H39N3OS/c1-26-18-21(25)24(15-14-22-11-5-2-6-12-22)17-19-8-7-13-23(16-19)20-9-3-4-10-20/h19-20H,2-18H2,1H3
InChIKeyKLKIRGZTNMMSMN-UHFFFAOYSA-N
XLogP3.32
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.63
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide
CID 45195885
1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide
CID 45247149
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 24817642
N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]-N-(2-piperidin-1-ylethyl)furan-2-carboxamide
CID 26322525
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 45221726
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
1-[3-[[[(3S)-1-cyclopentylpiperidin-3-yl]methyl-(2-piperidin-1-ylethyl)amino]methyl]phenyl]ethanone
CID 28822180
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 29209386
1-[4-[[[(3S)-1-cyclopentylpiperidin-3-yl]methyl-(2-piperidin-1-ylethyl)amino]methyl]thiophen-2-yl]ethanone
CID 29085541
ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate
CID 45199470
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine
CID 29188747
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide (CID 45186777) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide is CSCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is KLKIRGZTNMMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3OS/c1-26-18-21(25)24(15-14-22-11-5-2-6-12-22)17-19-8-7-13-23(16-19)20-9-3-4-10-20/h19-20H,2-18H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 381.63 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 45186777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).