(2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C18H26N4O3 — CID 95293344

IUPAC(2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)c2noc3c2CCCC3)CC1
InChIInChI=1S/C18H26N4O3/c19-17(23)14-5-3-9-22(14)12-7-10-21(11-8-12)18(24)16-13-4-1-2-6-15(13)25-20-16/h12,14H,1-11H2,(H2,19,23)/t14-/m1/s1
InChIKeyQFAPJWRCLYPHQP-CQSZACIVSA-N
MW346.43 g/mol
LogP1.11
Rot. Bonds3

About (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 95293344) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID95293344
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)c2noc3c2CCCC3)CC1
InChIInChI=1S/C18H26N4O3/c19-17(23)14-5-3-9-22(14)12-7-10-21(11-8-12)18(24)16-13-4-1-2-6-15(13)25-20-16/h12,14H,1-11H2,(H2,19,23)/t14-/m1/s1
InChIKeyQFAPJWRCLYPHQP-CQSZACIVSA-N
XLogP1.11
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 102553157
1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101239
[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 166211367
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
1-morpholin-4-yl-3-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]propan-1-one
CID 28735827
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 124572810
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122335027
4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157281554
4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346701
[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110106016
(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94822612
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124955017

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 95293344) is (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2noc3c2CCCC3)CC1.
What is the InChIKey of (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is QFAPJWRCLYPHQP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-17(23)14-5-3-9-22(14)12-7-10-21(11-8-12)18(24)16-13-4-1-2-6-15(13)25-20-16/h12,14H,1-11H2,(H2,19,23)/t14-/m1/s1.
What are the key properties of (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95293344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).