N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide

C21H28ClN3O2S — CID 46190053

IUPACN-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)nc1
InChIInChI=1S/C21H28ClN3O2S/c1-15(2)11-20(26)23-12-16-3-6-21(24-13-16)27-17-7-9-25(10-8-17)14-18-4-5-19(22)28-18/h3-6,13,15,17H,7-12,14H2,1-2H3,(H,23,26)
InChIKeyWRRACENQICBJGA-UHFFFAOYSA-N
MW421.99 g/mol
LogP4.50
Rot. Bonds8

About N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide

N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide (PubChem CID 46190053) has the molecular formula C21H28ClN3O2S and a molecular weight of 421.99 g/mol. Its IUPAC name is N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
PubChem CID46190053
Molecular FormulaC21H28ClN3O2S
Molecular Weight421.99 g/mol
Exact Mass421.16
IUPAC NameN-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)nc1
InChIInChI=1S/C21H28ClN3O2S/c1-15(2)11-20(26)23-12-16-3-6-21(24-13-16)27-17-7-9-25(10-8-17)14-18-4-5-19(22)28-18/h3-6,13,15,17H,7-12,14H2,1-2H3,(H,23,26)
InChIKeyWRRACENQICBJGA-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide with MolForge

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Related Compounds

N-[[6-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190049
N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190005
N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46191243
N-[[6-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190819
N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190094
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190883
N,N-dimethyl-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824330
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide (CID 46190053) is N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide is CC(C)CC(=O)NCc1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)nc1.
What is the InChIKey of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
The InChIKey is WRRACENQICBJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2S/c1-15(2)11-20(26)23-12-16-3-6-21(24-13-16)27-17-7-9-25(10-8-17)14-18-4-5-19(22)28-18/h3-6,13,15,17H,7-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide has a molecular weight of 421.99 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 46190053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).