1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide

C19H26N4O2 — CID 75370193

IUPAC1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(Cc2noc3c2CCCC3)CC1
InChIInChI=1S/C19H26N4O2/c1-22-10-4-6-17(22)19(24)20-14-8-11-23(12-9-14)13-16-15-5-2-3-7-18(15)25-21-16/h4,6,10,14H,2-3,5,7-9,11-13H2,1H3,(H,20,24)
InChIKeyBGOLWOOHAWYUHX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.29
Rot. Bonds4

About 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide

1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide (PubChem CID 75370193) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide
PubChem CID75370193
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(Cc2noc3c2CCCC3)CC1
InChIInChI=1S/C19H26N4O2/c1-22-10-4-6-17(22)19(24)20-14-8-11-23(12-9-14)13-16-15-5-2-3-7-18(15)25-21-16/h4,6,10,14H,2-3,5,7-9,11-13H2,1H3,(H,20,24)
InChIKeyBGOLWOOHAWYUHX-UHFFFAOYSA-N
XLogP2.29
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 56784377
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871203
N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155875834
1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 71794649
3-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole
CID 82510616
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 155871562
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913465
N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide
CID 51105892
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
CID 155870871
6-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888620

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide (CID 75370193) is 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CCN(Cc2noc3c2CCCC3)CC1.
What is the InChIKey of 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide?
The InChIKey is BGOLWOOHAWYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-10-4-6-17(22)19(24)20-14-8-11-23(12-9-14)13-16-15-5-2-3-7-18(15)25-21-16/h4,6,10,14H,2-3,5,7-9,11-13H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide?
1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 75370193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).