5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide

C14H19ClN2OS — CID 137372787

IUPAC5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C1CCNCC1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClN2OS/c15-12-4-3-11(19-12)14(18)17-13(9-1-2-9)10-5-7-16-8-6-10/h3-4,9-10,13,16H,1-2,5-8H2,(H,17,18)/t13-/m1/s1
InChIKeyZRZKYJKVMLOPOG-CYBMUJFWSA-N
MW298.84 g/mol
LogP2.91
Rot. Bonds4

About 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 137372787) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID137372787
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C1CCNCC1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClN2OS/c15-12-4-3-11(19-12)14(18)17-13(9-1-2-9)10-5-7-16-8-6-10/h3-4,9-10,13,16H,1-2,5-8H2,(H,17,18)/t13-/m1/s1
InChIKeyZRZKYJKVMLOPOG-CYBMUJFWSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide (CID 137372787) is 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide is O=C(N[C@@H](C1CCNCC1)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZRZKYJKVMLOPOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c15-12-4-3-11(19-12)14(18)17-13(9-1-2-9)10-5-7-16-8-6-10/h3-4,9-10,13,16H,1-2,5-8H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 298.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 137372787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).