N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide

C18H27N3O3 — CID 129337672

IUPACN,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2CC[C@H]2CCOC2=O)n1C
InChIInChI=1S/C18H27N3O3/c1-19-17(22)16-7-6-14(20(16)2)15-5-3-4-10-21(15)11-8-13-9-12-24-18(13)23/h6-7,13,15H,3-5,8-12H2,1-2H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyLYQMPWMQWMSFSC-ZFWWWQNUSA-N
MW333.43 g/mol
LogP1.86
Rot. Bonds5

About N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide

N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide (PubChem CID 129337672) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
PubChem CID129337672
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2CC[C@H]2CCOC2=O)n1C
InChIInChI=1S/C18H27N3O3/c1-19-17(22)16-7-6-14(20(16)2)15-5-3-4-10-21(15)11-8-13-9-12-24-18(13)23/h6-7,13,15H,3-5,8-12H2,1-2H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyLYQMPWMQWMSFSC-ZFWWWQNUSA-N
XLogP1.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide (CID 129337672) is N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide is CNC(=O)c1ccc([C@@H]2CCCCN2CC[C@H]2CCOC2=O)n1C.
What is the InChIKey of N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The InChIKey is LYQMPWMQWMSFSC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-17(22)16-7-6-14(20(16)2)15-5-3-4-10-21(15)11-8-13-9-12-24-18(13)23/h6-7,13,15H,3-5,8-12H2,1-2H3,(H,19,22)/t13-,15-/m0/s1.
What are the key properties of N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 129337672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).