(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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Related Compounds

(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432180
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431879
(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432083
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962696
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
N-cyclopropyl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435052
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963509
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982

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).