N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C18H22N4O2S — CID 124946642

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22N4O2S/c23-17(15-9-13-3-1-4-14(13)25-15)21-11-18(24)5-2-8-22(12-18)16-10-19-6-7-20-16/h6-7,9-10,24H,1-5,8,11-12H2,(H,21,23)/t18-/m1/s1
InChIKeyBZPRVYJFPMZPEJ-GOSISDBHSA-N
MW358.47 g/mol
LogP1.79
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 124946642) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID124946642
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22N4O2S/c23-17(15-9-13-3-1-4-14(13)25-15)21-11-18(24)5-2-8-22(12-18)16-10-19-6-7-20-16/h6-7,9-10,24H,1-5,8,11-12H2,(H,21,23)/t18-/m1/s1
InChIKeyBZPRVYJFPMZPEJ-GOSISDBHSA-N
XLogP1.79
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 124977632
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(methoxymethyl)benzamide
CID 110123551
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 125000571
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-(imidazol-1-ylmethyl)benzamide
CID 124957377
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110159152
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124966264
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110123523
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125027161

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 124946642) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cc2c(s1)CCC2.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is BZPRVYJFPMZPEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(15-9-13-3-1-4-14(13)25-15)21-11-18(24)5-2-8-22(12-18)16-10-19-6-7-20-16/h6-7,9-10,24H,1-5,8,11-12H2,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 124946642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).