N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

C15H22N4O3S — CID 94380039

IUPACN-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN([C@@H](C)C(=O)NC(N)=O)CC2)s1
InChIInChI=1S/C15H22N4O3S/c1-9-3-4-12(23-9)14(21)17-11-5-7-19(8-6-11)10(2)13(20)18-15(16)22/h3-4,10-11H,5-8H2,1-2H3,(H,17,21)(H3,16,18,20,22)/t10-/m0/s1
InChIKeyRPKJVJNREGNEGD-JTQLQIEISA-N
MW338.43 g/mol
LogP0.83
Rot. Bonds4

About N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 94380039) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID94380039
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN([C@@H](C)C(=O)NC(N)=O)CC2)s1
InChIInChI=1S/C15H22N4O3S/c1-9-3-4-12(23-9)14(21)17-11-5-7-19(8-6-11)10(2)13(20)18-15(16)22/h3-4,10-11H,5-8H2,1-2H3,(H,17,21)(H3,16,18,20,22)/t10-/m0/s1
InChIKeyRPKJVJNREGNEGD-JTQLQIEISA-N
XLogP0.83
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 94380039) is N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN([C@@H](C)C(=O)NC(N)=O)CC2)s1.
What is the InChIKey of N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is RPKJVJNREGNEGD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-9-3-4-12(23-9)14(21)17-11-5-7-19(8-6-11)10(2)13(20)18-15(16)22/h3-4,10-11H,5-8H2,1-2H3,(H,17,21)(H3,16,18,20,22)/t10-/m0/s1.
What are the key properties of N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 94380039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).