1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide

C19H27N3O3 — CID 154747322

IUPAC1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NC(=O)C3CCOC3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c20-18(23)15-6-10-22(11-7-15)9-5-14-1-3-17(4-2-14)21-19(24)16-8-12-25-13-16/h1-4,15-16H,5-13H2,(H2,20,23)(H,21,24)
InChIKeyPEXGKTDYUDNESN-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.40
Rot. Bonds6

About 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide

1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 154747322) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID154747322
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NC(=O)C3CCOC3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c20-18(23)15-6-10-22(11-7-15)9-5-14-1-3-17(4-2-14)21-19(24)16-8-12-25-13-16/h1-4,15-16H,5-13H2,(H2,20,23)(H,21,24)
InChIKeyPEXGKTDYUDNESN-UHFFFAOYSA-N
XLogP1.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
1-[2-[4-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]ethyl]piperidine-4-carboxamide
CID 47092000
N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 126822339
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120633725
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 71968029
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide (CID 154747322) is 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCc2ccc(NC(=O)C3CCOC3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is PEXGKTDYUDNESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-18(23)15-6-10-22(11-7-15)9-5-14-1-3-17(4-2-14)21-19(24)16-8-12-25-13-16/h1-4,15-16H,5-13H2,(H2,20,23)(H,21,24).
What are the key properties of 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 154747322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).