[(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid

C15H25N3O2S — CID 68807055

IUPAC[(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid
SMILESC[C@H](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)/t12-/m1/s1
InChIKeyYIVCAKFHPHCPMP-GFCCVEGCSA-N
MW311.45 g/mol
LogP2.35
Rot. Bonds7

About [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid

[(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid (PubChem CID 68807055) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid.

Molecular Properties

Compound Name[(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid
PubChem CID68807055
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name[(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid
SMILESC[C@H](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)/t12-/m1/s1
InChIKeyYIVCAKFHPHCPMP-GFCCVEGCSA-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 [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid?
The IUPAC name of [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid (CID 68807055) is [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid.
What is the SMILES notation for [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid?
The canonical SMILES for [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid is C[C@H](CCNC(=O)O)N1CCC(NCc2ccsc2)CC1.
What is the InChIKey of [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid?
The InChIKey is YIVCAKFHPHCPMP-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid?
[(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic 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 [(3R)-3-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]butyl]carbamic acid is sourced from PubChem (CID 68807055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).