(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide

C23H35N5O2 — CID 97115774

IUPAC(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C)CCN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1
InChIInChI=1S/C23H35N5O2/c1-25(2)15-16-26(3)22(29)18-7-6-12-28(17-18)19-10-13-27(14-11-19)23-24-20-8-4-5-9-21(20)30-23/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3/t18-/m1/s1
InChIKeyAVPYROJJJWRXJG-GOSISDBHSA-N
MW413.57 g/mol
LogP2.53
Rot. Bonds6

About (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide

(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 97115774) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID97115774
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C)CCN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1
InChIInChI=1S/C23H35N5O2/c1-25(2)15-16-26(3)22(29)18-7-6-12-28(17-18)19-10-13-27(14-11-19)23-24-20-8-4-5-9-21(20)30-23/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3/t18-/m1/s1
InChIKeyAVPYROJJJWRXJG-GOSISDBHSA-N
XLogP2.53
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 25457994
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 25457999
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-3-carboxylic acid;dihydrochloride
CID 154895890
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
[(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 95502907
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 70769541
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 45181110
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-prop-2-enylpiperidine-3-carboxamide
CID 42466053
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 95555683
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 56873239
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 97131841
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 26324983

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide (CID 97115774) is (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide is CN(C)CCN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is AVPYROJJJWRXJG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-25(2)15-16-26(3)22(29)18-7-6-12-28(17-18)19-10-13-27(14-11-19)23-24-20-8-4-5-9-21(20)30-23/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide?
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 97115774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).