3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid

C15H25N3O2S — CID 68807058

IUPAC3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid
SMILESCC(CCNC(=O)O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-12(2-6-16-15(19)20)18-7-3-14(4-8-18)17-10-13-5-9-21-11-13/h5,9,11-12,14,16-17H,2-4,6-8,10H2,1H3,(H,19,20)
InChIKeyYIVCAKFHPHCPMP-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.35
Rot. Bonds7

About 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid

3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid (PubChem CID 68807058) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid.

Molecular Properties

Compound Name3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid
PubChem CID68807058
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid
SMILESCC(CCNC(=O)O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-12(2-6-16-15(19)20)18-7-3-14(4-8-18)17-10-13-5-9-21-11-13/h5,9,11-12,14,16-17H,2-4,6-8,10H2,1H3,(H,19,20)
InChIKeyYIVCAKFHPHCPMP-UHFFFAOYSA-N
XLogP2.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid?
The IUPAC name of 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid (CID 68807058) is 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid.
What is the SMILES notation for 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid?
The canonical SMILES for 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid is CC(CCNC(=O)O)N1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid?
The InChIKey is YIVCAKFHPHCPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2-6-16-15(19)20)18-7-3-14(4-8-18)17-10-13-5-9-21-11-13/h5,9,11-12,14,16-17H,2-4,6-8,10H2,1H3,(H,19,20).
What are the key properties of 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid?
3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid has a molecular weight of 311.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butylcarbamic acid is sourced from PubChem (CID 68807058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).