N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide

C18H23N5OS — CID 53185797

IUPACN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCCN(c2cc(N3CCCC3)ncn2)C1)c1ccsc1
InChIInChI=1S/C18H23N5OS/c24-18(14-5-9-25-12-14)21-15-4-3-8-23(11-15)17-10-16(19-13-20-17)22-6-1-2-7-22/h5,9-10,12-13,15H,1-4,6-8,11H2,(H,21,24)
InChIKeyLDLMSMBYZVYYCI-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide

N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 53185797) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide
PubChem CID53185797
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCCN(c2cc(N3CCCC3)ncn2)C1)c1ccsc1
InChIInChI=1S/C18H23N5OS/c24-18(14-5-9-25-12-14)21-15-4-3-8-23(11-15)17-10-16(19-13-20-17)22-6-1-2-7-22/h5,9-10,12-13,15H,1-4,6-8,11H2,(H,21,24)
InChIKeyLDLMSMBYZVYYCI-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide (CID 53185797) is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide is O=C(NC1CCCN(c2cc(N3CCCC3)ncn2)C1)c1ccsc1.
What is the InChIKey of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is LDLMSMBYZVYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-18(14-5-9-25-12-14)21-15-4-3-8-23(11-15)17-10-16(19-13-20-17)22-6-1-2-7-22/h5,9-10,12-13,15H,1-4,6-8,11H2,(H,21,24).
What are the key properties of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide?
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 53185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).