N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide

C19H30N4O3 — CID 129002539

IUPACN,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2CC(=O)NC2CCOCC2)n1C
InChIInChI=1S/C19H30N4O3/c1-20-19(25)17-7-6-15(22(17)2)16-5-3-4-10-23(16)13-18(24)21-14-8-11-26-12-9-14/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyWFHABHQVIWVFEB-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.21
Rot. Bonds5

About N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide

N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide (PubChem CID 129002539) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
PubChem CID129002539
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2CC(=O)NC2CCOCC2)n1C
InChIInChI=1S/C19H30N4O3/c1-20-19(25)17-7-6-15(22(17)2)16-5-3-4-10-23(16)13-18(24)21-14-8-11-26-12-9-14/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyWFHABHQVIWVFEB-UHFFFAOYSA-N
XLogP1.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

5-[(2R)-1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334945
5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334180
N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337672
N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129340562
5-[(2S)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343327
5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343540
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148
5-[1-[(5-cyanofuran-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007322
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007648
5-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129002276

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide (CID 129002539) is N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide is CNC(=O)c1ccc(C2CCCCN2CC(=O)NC2CCOCC2)n1C.
What is the InChIKey of N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The InChIKey is WFHABHQVIWVFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-20-19(25)17-7-6-15(22(17)2)16-5-3-4-10-23(16)13-18(24)21-14-8-11-26-12-9-14/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide?
N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 129002539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).