N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide

C18H32N2O2S — CID 84595006

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)C1(O)CCSCC1
InChIInChI=1S/C18H32N2O2S/c21-17(18(22)8-12-23-13-9-18)19-16-6-10-20(11-7-16)14-15-4-2-1-3-5-15/h15-16,22H,1-14H2,(H,19,21)
InChIKeyYTCQXRJBWJLYDN-UHFFFAOYSA-N
MW340.53 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide (PubChem CID 84595006) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide
PubChem CID84595006
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)C1(O)CCSCC1
InChIInChI=1S/C18H32N2O2S/c21-17(18(22)8-12-23-13-9-18)19-16-6-10-20(11-7-16)14-15-4-2-1-3-5-15/h15-16,22H,1-14H2,(H,19,21)
InChIKeyYTCQXRJBWJLYDN-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 47083546
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
CID 60601131
N-[1-(cyclobutylmethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163352611
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
4-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]oxane-4-carboxamide;dihydrochloride
CID 120939451
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60600680
2,7-dibromo-N-[1-(cyclooctylmethyl)piperidin-4-yl]-9-iodoxanthene-9-carboxamide
CID 70341930
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
CID 167806185
N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120954753
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(3-hydroxythiolan-3-yl)methyl]-2-methylguanidine
CID 119162462
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 51081913

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide (CID 84595006) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide is O=C(NC1CCN(CC2CCCCC2)CC1)C1(O)CCSCC1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide?
The InChIKey is YTCQXRJBWJLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c21-17(18(22)8-12-23-13-9-18)19-16-6-10-20(11-7-16)14-15-4-2-1-3-5-15/h15-16,22H,1-14H2,(H,19,21).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide has a molecular weight of 340.53 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide is sourced from PubChem (CID 84595006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).