N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide

C17H24N4O3 — CID 71846843

IUPACN-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)C1
InChIInChI=1S/C17H24N4O3/c1-4-23-13-6-5-9-21(11-13)16(22)18-12-7-8-14-15(10-12)24-17(19-14)20(2)3/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,18,22)
InChIKeyDONHVNUIYHTHNW-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide

N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide (PubChem CID 71846843) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide
PubChem CID71846843
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)C1
InChIInChI=1S/C17H24N4O3/c1-4-23-13-6-5-9-21(11-13)16(22)18-12-7-8-14-15(10-12)24-17(19-14)20(2)3/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,18,22)
InChIKeyDONHVNUIYHTHNW-UHFFFAOYSA-N
XLogP2.93
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47749624
(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95771355
3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47399494
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine
CID 115921759
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
CID 47749354
(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 97443914
(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95614996
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
(6R)-2,2,6-trimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
CID 95135103

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide (CID 71846843) is N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide is CCOC1CCCN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)C1.
What is the InChIKey of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide?
The InChIKey is DONHVNUIYHTHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-23-13-6-5-9-21(11-13)16(22)18-12-7-8-14-15(10-12)24-17(19-14)20(2)3/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide?
N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 71846843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).