(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C20H25N3O2S — CID 125432537

IUPAC(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-19(13-18(16-7-12-26-14-16)22-8-1-2-9-22)21-17-5-10-23(11-6-17)20(25)15-3-4-15/h1-2,7-9,12,14-15,17-18H,3-6,10-11,13H2,(H,21,24)/t18-/m1/s1
InChIKeyJEXIENGBVHNWLH-GOSISDBHSA-N
MW371.51 g/mol
LogP3.05
Rot. Bonds6

About (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 125432537) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID125432537
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-19(13-18(16-7-12-26-14-16)22-8-1-2-9-22)21-17-5-10-23(11-6-17)20(25)15-3-4-15/h1-2,7-9,12,14-15,17-18H,3-6,10-11,13H2,(H,21,24)/t18-/m1/s1
InChIKeyJEXIENGBVHNWLH-GOSISDBHSA-N
XLogP3.05
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 125432537) is (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is O=C(C[C@H](c1ccsc1)n1cccc1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is JEXIENGBVHNWLH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(13-18(16-7-12-26-14-16)22-8-1-2-9-22)21-17-5-10-23(11-6-17)20(25)15-3-4-15/h1-2,7-9,12,14-15,17-18H,3-6,10-11,13H2,(H,21,24)/t18-/m1/s1.
What are the key properties of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 371.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125432537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).